3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid

C10H12Cl2N2O3 — CID 62674269

IUPAC3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1cc(Cl)c(Cl)n1C)C(=O)O
InChIInChI=1S/C10H12Cl2N2O3/c1-5(10(16)17)4-13-9(15)7-3-6(11)8(12)14(7)2/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNNMOTYZECHPPCM-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.78
Rot. Bonds4

About 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid

3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62674269) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62674269
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1cc(Cl)c(Cl)n1C)C(=O)O
InChIInChI=1S/C10H12Cl2N2O3/c1-5(10(16)17)4-13-9(15)7-3-6(11)8(12)14(7)2/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNNMOTYZECHPPCM-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43171651
4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178501
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60831652
4,5-dichloro-N-(3-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 111460726
4,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65112242
(2S,3R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 93309927
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212558
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 43356454
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114618630
4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 103862250
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid (CID 62674269) is 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1cc(Cl)c(Cl)n1C)C(=O)O.
What is the InChIKey of 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is NNMOTYZECHPPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c1-5(10(16)17)4-13-9(15)7-3-6(11)8(12)14(7)2/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 279.12 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62674269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).