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

C17H18N2O4 — CID 10086982

IUPACbenzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NO)OCc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-16(19-22)15(11-13-7-3-1-4-8-13)18-17(21)23-12-14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyUKGDHYIOCFNBIP-HNNXBMFYSA-N
MW314.34 g/mol
LogP2.03
Rot. Bonds6

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

benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 10086982) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID10086982
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namebenzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NO)OCc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-16(19-22)15(11-13-7-3-1-4-8-13)18-17(21)23-12-14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyUKGDHYIOCFNBIP-HNNXBMFYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 10086982) is benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)NO)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is UKGDHYIOCFNBIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-16(19-22)15(11-13-7-3-1-4-8-13)18-17(21)23-12-14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 314.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 10086982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).