3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

C13H19ClN2O3 — CID 81066132

IUPAC3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cc(Cl)cn1CC)CC(=O)O
InChIInChI=1S/C13H19ClN2O3/c1-3-9(5-12(17)18)7-15-13(19)11-6-10(14)8-16(11)4-2/h6,8-9H,3-5,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHTSNPLWYGXASQA-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.39
Rot. Bonds7

About 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81066132) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID81066132
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cc(Cl)cn1CC)CC(=O)O
InChIInChI=1S/C13H19ClN2O3/c1-3-9(5-12(17)18)7-15-13(19)11-6-10(14)8-16(11)4-2/h6,8-9H,3-5,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHTSNPLWYGXASQA-UHFFFAOYSA-N
XLogP2.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43639447
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
4-amino-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 43639423
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43639403
(2R)-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975609
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
CID 106115856
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid (CID 81066132) is 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1cc(Cl)cn1CC)CC(=O)O.
What is the InChIKey of 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is HTSNPLWYGXASQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-3-9(5-12(17)18)7-15-13(19)11-6-10(14)8-16(11)4-2/h6,8-9H,3-5,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 286.76 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81066132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).