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

C10H14N2O4 — CID 43208802

IUPAC3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1cccn1C)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-6(13)8(10(15)16)11-9(14)7-4-3-5-12(7)2/h3-6,8,13H,1-2H3,(H,11,14)(H,15,16)
InChIKeyNXKUAEHFHHPKQQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.41
Rot. Bonds4

About 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid

3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 43208802) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID43208802
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1cccn1C)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-6(13)8(10(15)16)11-9(14)7-4-3-5-12(7)2/h3-6,8,13H,1-2H3,(H,11,14)(H,15,16)
InChIKeyNXKUAEHFHHPKQQ-UHFFFAOYSA-N
XLogP-0.41
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
(2S,3R)-2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964424
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 43208807
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 97250489
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393615
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393614
N-heptan-2-yl-1-methylpyrrole-2-carboxamide
CID 102603550

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid (CID 43208802) is 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1cccn1C)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is NXKUAEHFHHPKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(13)8(10(15)16)11-9(14)7-4-3-5-12(7)2/h3-6,8,13H,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43208802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).