Text Search
Structure Search

(2R)-2-{[(2S)-1-[(benzyloxy)carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

(2R)-2-{[(2S)-1-[(benzyloxy)carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

CAS: 61596-47-2

Formula: C19H26N2O5

SMILES: CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: (2R)-2-{[(2S)-1-[(benzyloxy)carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

InChI: InChI=1S/C19H26N2O5/c1-13(2)11-15(18(23)24)20-17(22)16-9-6-10-21(16)19(25)26-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,22)(H,23,24)/t15-,16+/m1/s1

Composition: C (62.97%), H (7.23%), N (7.73%), O (22.07%)

Molar Mass: 362.426

Atom Count: 52

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 362.184171945
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YCYXUKRYYSXSLJ-CVEARBPZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.84
Topological Polar Surface Area 95.94
Polarizability 37.21
Ring Count 2
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 61596-47-2 $34.40-$85.61$34.40$55.04$85.61
Request Quote