benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate

C17H24N2O3 — CID 71168695

IUPACbenzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate
SMILESCCC[C@@H](CC(=O)NC1CC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-2-6-15(11-16(20)18-14-9-10-14)19-17(21)22-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyLCPBJMFYNBCDAP-HNNXBMFYSA-N
MW304.39 g/mol
LogP2.75
Rot. Bonds8

About benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate

benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate (PubChem CID 71168695) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate
PubChem CID71168695
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate
SMILESCCC[C@@H](CC(=O)NC1CC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-2-6-15(11-16(20)18-14-9-10-14)19-17(21)22-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyLCPBJMFYNBCDAP-HNNXBMFYSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
benzyl (2S)-5-(cyclopropylamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 155726369
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate;methanol
CID 157062970
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
benzyl N-[(3R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 91609031
benzyl N-(1-aminobutyl)carbamate
CID 3840640
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
[(2S,3S)-3-amino-1-(cyclopropylamino)-1-oxohexan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 68534458
[(2S)-2-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
CID 129302825

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate (CID 71168695) is benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate is CCC[C@@H](CC(=O)NC1CC1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate?
The InChIKey is LCPBJMFYNBCDAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-6-15(11-16(20)18-14-9-10-14)19-17(21)22-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate?
benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate is sourced from PubChem (CID 71168695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).