1,4-dimethyl (2S)-2-[bis(tert-butoxycarbonyl)amino]butanedioate

1,4-dimethyl (2S)-2-[bis(tert-butoxycarbonyl)amino]butanedioate

CAS: 219617-08-0

Formula: C16H27NO8

SMILES: COC(=O)C[C@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC

IUPAC: 1,4-dimethyl (2S)-2-{bis[(tert-butoxy)carbonyl]amino}butanedioate

InChI: InChI=1S/C16H27NO8/c1-15(2,3)24-13(20)17(14(21)25-16(4,5)6)10(12(19)23-8)9-11(18)22-7/h10H,9H2,1-8H3/t10-/m0/s1

Composition: C (53.18%), H (7.53%), N (3.88%), O (35.42%)

Molar Mass: 361.391

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	361.173666833
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ALQXXUHPEAESLZ-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.94
Topological Polar Surface Area	108.44
Polarizability	34.6
Ring Count	0
Rotatable Bond Count	10

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	219617-08-0		$2,200.00-$5,040.00$2,200.00$3,300.00$5,040.00