2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid

C10H13ClN2O3 — CID 62626186

IUPAC2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C10H13ClN2O3/c1-6(10(15)16)13(3)9(14)8-4-7(11)5-12(8)2/h4-6H,1-3H3,(H,15,16)
InChIKeyBMFLHZMVZBJVCF-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.22
Rot. Bonds3

About 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid

2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid (PubChem CID 62626186) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid
PubChem CID62626186
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C10H13ClN2O3/c1-6(10(15)16)13(3)9(14)8-4-7(11)5-12(8)2/h4-6H,1-3H3,(H,15,16)
InChIKeyBMFLHZMVZBJVCF-UHFFFAOYSA-N
XLogP1.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-1-methylpyrrole-2-carbonyl)-ethylamino]butanoic acid
CID 55123329
N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide
CID 112803367
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62817871
2-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219976
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423137
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
CID 54926471
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
2-[(2-chloro-4,5-difluorobenzoyl)-methylamino]propanoic acid
CID 62626388
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119209552
4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid (CID 62626186) is 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1cc(Cl)cn1C.
What is the InChIKey of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid?
The InChIKey is BMFLHZMVZBJVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-6(10(15)16)13(3)9(14)8-4-7(11)5-12(8)2/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid?
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid has a molecular weight of 244.68 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62626186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).