benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate

C19H22N2O3 — CID 18108336

IUPACbenzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(17-11-7-4-8-12-17)20-18(22)15(2)21-19(23)24-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,20,22)(H,21,23)/t14?,15-/m0/s1
InChIKeyAUEYUJCTVVJGRR-LOACHALJSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds6

About benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate

benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate (PubChem CID 18108336) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
PubChem CID18108336
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(17-11-7-4-8-12-17)20-18(22)15(2)21-19(23)24-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,20,22)(H,21,23)/t14?,15-/m0/s1
InChIKeyAUEYUJCTVVJGRR-LOACHALJSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15514013
benzyl N-[(2S)-1-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958717
benzyl N-[(2S)-3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]oxycarbamate
CID 44551862
(2R,3R)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 124542605
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
1,3-dichloropropan-2-one;(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 170987626
dibenzyl 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioate
CID 4086871
tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 171782458
methyl 3-oxo-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
CID 11013114
methyl (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
CID 45049910
(2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanedioic acid
CID 131732930

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate (CID 18108336) is benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate is CC(NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate?
The InChIKey is AUEYUJCTVVJGRR-LOACHALJSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(17-11-7-4-8-12-17)20-18(22)15(2)21-19(23)24-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,20,22)(H,21,23)/t14?,15-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 18108336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).