(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide

C16H19N3O2 — CID 29028446

IUPAC(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide
SMILESCn1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
InChIInChI=1S/C16H19N3O2/c1-19-8-7-13(11-19)10-15(20)18-14(16(17)21)9-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H2,17,21)(H,18,20)/t14-/m0/s1
InChIKeyOAAUTBDGCFASNB-AWEZNQCLSA-N
MW285.35 g/mol
LogP0.78
Rot. Bonds6

About (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide

(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide (PubChem CID 29028446) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide
PubChem CID29028446
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide
SMILESCn1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
InChIInChI=1S/C16H19N3O2/c1-19-8-7-13(11-19)10-15(20)18-14(16(17)21)9-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H2,17,21)(H,18,20)/t14-/m0/s1
InChIKeyOAAUTBDGCFASNB-AWEZNQCLSA-N
XLogP0.78
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(2S)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 119366835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide (CID 29028446) is (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide is Cn1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1.
What is the InChIKey of (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide?
The InChIKey is OAAUTBDGCFASNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-8-7-13(11-19)10-15(20)18-14(16(17)21)9-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H2,17,21)(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide?
(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 29028446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).