benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate

C17H18N2O3 — CID 2755911

IUPACbenzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyHHBOFAIEPRHUSR-HNNXBMFYSA-N
MW298.34 g/mol
LogP2.01
Rot. Bonds6

About benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 2755911) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID2755911
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyHHBOFAIEPRHUSR-HNNXBMFYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate (CID 2755911) is benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate is NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is HHBOFAIEPRHUSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.01, 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-amino-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 2755911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).