benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate

C19H20N2O3 — CID 97267837

IUPACbenzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](C(=O)NC1CC1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(20-16-11-12-16)17(15-9-5-2-6-10-15)21-19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyGHICICJEIQKFTO-QGZVFWFLSA-N
MW324.38 g/mol
LogP2.93
Rot. Bonds6

About benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate

benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate (PubChem CID 97267837) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
PubChem CID97267837
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namebenzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](C(=O)NC1CC1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(20-16-11-12-16)17(15-9-5-2-6-10-15)21-19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyGHICICJEIQKFTO-QGZVFWFLSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
methyl (2S)-3-methyl-2-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 134817279
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
benzyl N-[2-[[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]amino]-2-oxo-1-phenylethyl]carbamate;[1-[[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 161354446
benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate
CID 118993050
benzyl N-[2-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-2-oxo-1-phenylethyl]carbamate
CID 54577296

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate (CID 97267837) is benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate is O=C(N[C@@H](C(=O)NC1CC1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is GHICICJEIQKFTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(20-16-11-12-16)17(15-9-5-2-6-10-15)21-19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate?
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 97267837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).