5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid

C10H13ClN2O3 — CID 62034657

IUPAC5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O3/c11-7-5-8(13-6-7)10(16)12-4-2-1-3-9(14)15/h5-6,13H,1-4H2,(H,12,16)(H,14,15)
InChIKeyKYUGKNMRKSDSSX-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.65
Rot. Bonds6

About 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid

5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid (PubChem CID 62034657) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
PubChem CID62034657
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O3/c11-7-5-8(13-6-7)10(16)12-4-2-1-3-9(14)15/h5-6,13H,1-4H2,(H,12,16)(H,14,15)
InChIKeyKYUGKNMRKSDSSX-UHFFFAOYSA-N
XLogP1.65
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-hex-5-ynyl-1H-pyrrole-2-carboxamide
CID 103758035
2-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 115909965
4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001912
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47342565
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
(2R)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 94540993
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 80717603
4-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1H-pyrrole-2-carboxamide
CID 77084955
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 39578256
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
4-chloro-1H-pyrrole-2-carboxylic acid
CID 7130842

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid (CID 62034657) is 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The InChIKey is KYUGKNMRKSDSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-7-5-8(13-6-7)10(16)12-4-2-1-3-9(14)15/h5-6,13H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid has a molecular weight of 244.68 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62034657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).