2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid

C16H22N2O4 — CID 119203195

IUPAC2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESCCc1c(C(=O)N(C2CC2)C(C)C(=O)O)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H22N2O4/c1-5-12-13(10(4)19)8(2)17-14(12)15(20)18(11-6-7-11)9(3)16(21)22/h9,11,17H,5-7H2,1-4H3,(H,21,22)
InChIKeyKYSAUFDXQWHNON-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.17
Rot. Bonds6

About 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid

2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid (PubChem CID 119203195) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
PubChem CID119203195
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESCCc1c(C(=O)N(C2CC2)C(C)C(=O)O)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H22N2O4/c1-5-12-13(10(4)19)8(2)17-14(12)15(20)18(11-6-7-11)9(3)16(21)22/h9,11,17H,5-7H2,1-4H3,(H,21,22)
InChIKeyKYSAUFDXQWHNON-UHFFFAOYSA-N
XLogP2.17
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 15997837
2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-methylamino]propanoic acid
CID 119209304
(2S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366078
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94800034
4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120654198
4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 75494133
3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254874
(2S)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 120614754

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid (CID 119203195) is 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid is CCc1c(C(=O)N(C2CC2)C(C)C(=O)O)[nH]c(C)c1C(C)=O.
What is the InChIKey of 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
The InChIKey is KYSAUFDXQWHNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-12-13(10(4)19)8(2)17-14(12)15(20)18(11-6-7-11)9(3)16(21)22/h9,11,17H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119203195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).