2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid

C13H19ClN2O3 — CID 43639403

IUPAC2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCn1cc(Cl)cc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H19ClN2O3/c1-4-16-7-9(14)6-11(16)12(17)15-10(13(18)19)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyLSBHLNPCZOBGPJ-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.39
Rot. Bonds6

About 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid

2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 43639403) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID43639403
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCn1cc(Cl)cc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H19ClN2O3/c1-4-16-7-9(14)6-11(16)12(17)15-10(13(18)19)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyLSBHLNPCZOBGPJ-UHFFFAOYSA-N
XLogP2.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975609
4-amino-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 43639423
(2S)-2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 61137766
3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43639447
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43170154
2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832159
(2S)-2-[[2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694679
(2S)-4-amino-2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63715407
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 81066132
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid (CID 43639403) is 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid is CCn1cc(Cl)cc1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is LSBHLNPCZOBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-4-16-7-9(14)6-11(16)12(17)15-10(13(18)19)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 286.76 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 43639403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).