2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid

C11H14N2O4 — CID 107832742

IUPAC2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1cccnc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-3-2-5-12-9(7)10(15)13-6-4-8(14)11(16)17/h2-3,5,8,14H,4,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyMIMABYDPODYZCF-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.04
Rot. Bonds5

About 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid

2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 107832742) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID107832742
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1cccnc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-3-2-5-12-9(7)10(15)13-6-4-8(14)11(16)17/h2-3,5,8,14H,4,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyMIMABYDPODYZCF-UHFFFAOYSA-N
XLogP-0.04
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (CID 107832742) is 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is Cc1cccnc1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is MIMABYDPODYZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-3-2-5-12-9(7)10(15)13-6-4-8(14)11(16)17/h2-3,5,8,14H,4,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107832742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).