2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid

C10H14N2O3 — CID 43469589

IUPAC2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cccn1C)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-7(10(14)15)11-9(13)8-5-4-6-12(8)2/h4-7H,3H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyNMLHNXDHSFWUBD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.62
Rot. Bonds4

About 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid

2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 43469589) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID43469589
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cccn1C)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-7(10(14)15)11-9(13)8-5-4-6-12(8)2/h4-7H,3H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyNMLHNXDHSFWUBD-UHFFFAOYSA-N
XLogP0.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43208802
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469560
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
N-heptan-2-yl-1-methylpyrrole-2-carboxamide
CID 102603550
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
CID 84558327
N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 97250489
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
(2R)-4-methylsulfanyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 104906339
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid (CID 43469589) is 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cccn1C)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is NMLHNXDHSFWUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-7(10(14)15)11-9(13)8-5-4-6-12(8)2/h4-7H,3H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).