(2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide

C16H15N3O3 — CID 121405784

IUPAC(2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide
SMILESO=NC(=O)[C@H](Cc1ccc(N=O)cc1)NCc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-16(19-22)15(17-11-13-4-2-1-3-5-13)10-12-6-8-14(18-21)9-7-12/h1-9,15,17H,10-11H2/t15-/m0/s1
InChIKeyAPXMDTREUYNDIM-HNNXBMFYSA-N
MW297.31 g/mol
LogP3.08
Rot. Bonds7

About (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide

(2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide (PubChem CID 121405784) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide
PubChem CID121405784
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide
SMILESO=NC(=O)[C@H](Cc1ccc(N=O)cc1)NCc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-16(19-22)15(17-11-13-4-2-1-3-5-13)10-12-6-8-14(18-21)9-7-12/h1-9,15,17H,10-11H2/t15-/m0/s1
InChIKeyAPXMDTREUYNDIM-HNNXBMFYSA-N
XLogP3.08
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
N-hydroxy-3-phenyl-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748988
(2S)-2-(benzylamino)-3-(4-naphthalen-1-ylphenyl)propanoic acid
CID 67590007
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
(2S)-2-(benzylamino)-N-methyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 174941177
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-phenylpropanoic acid
CID 120510749
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide?
The IUPAC name of (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide (CID 121405784) is (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide.
What is the SMILES notation for (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide?
The canonical SMILES for (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide is O=NC(=O)[C@H](Cc1ccc(N=O)cc1)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide?
The InChIKey is APXMDTREUYNDIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(19-22)15(17-11-13-4-2-1-3-5-13)10-12-6-8-14(18-21)9-7-12/h1-9,15,17H,10-11H2/t15-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide?
(2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide has a molecular weight of 297.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-3-(4-nitrosophenyl)-N-oxopropanamide is sourced from PubChem (CID 121405784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).