methyl 3-(heptylamino)propanoate

methyl 3-(heptylamino)propanoate

CAS: 40870-94-8

Formula: C11H23NO2

SMILES: CCCCCCCNCCC(=O)OC

IUPAC: methyl 3-(heptylamino)propanoate

InChI: InChI=1S/C11H23NO2/c1-3-4-5-6-7-9-12-10-8-11(13)14-2/h12H,3-10H2,1-2H3

Composition: C (65.63%), H (11.52%), N (6.96%), O (15.89%)

Molar Mass: 201.31

Atom Count: 37

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	201.172878985
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HCHXNCFKTWGXNH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.92
Topological Polar Surface Area	38.33
Polarizability	23.28
Ring Count	0
Rotatable Bond Count	10

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