2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid

C13H18N2O3 — CID 43639324

IUPAC2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cccn1C1CC1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-4-10(13(17)18)14-12(16)11-5-3-8-15(11)9-6-7-9/h3,5,8-10H,2,4,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeySFQCPWGWDRZXIE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.81
Rot. Bonds6

About 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid

2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid (PubChem CID 43639324) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
PubChem CID43639324
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cccn1C1CC1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-4-10(13(17)18)14-12(16)11-5-3-8-15(11)9-6-7-9/h3,5,8-10H,2,4,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeySFQCPWGWDRZXIE-UHFFFAOYSA-N
XLogP1.81
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
CID 107824874
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61144073
2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]pentanoic acid
CID 114608686
1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
CID 115970025
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
1-cyclopropyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 107861229
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
(2R)-4-methylsulfanyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 104906339
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid (CID 43639324) is 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cccn1C1CC1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid?
The InChIKey is SFQCPWGWDRZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-4-10(13(17)18)14-12(16)11-5-3-8-15(11)9-6-7-9/h3,5,8-10H,2,4,6-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid?
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43639324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).