(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid

C11H15N3O4 — CID 114005731

IUPAC(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
SMILESCc1ncccc1NC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-7-8(3-2-5-12-7)13-11(18)14-9(4-6-15)10(16)17/h2-3,5,9,15H,4,6H2,1H3,(H,16,17)(H2,13,14,18)/t9-/m1/s1
InChIKeyGWOHORIVKZGVGE-SECBINFHSA-N
MW253.26 g/mol
LogP0.35
Rot. Bonds5

About (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid (PubChem CID 114005731) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
PubChem CID114005731
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
SMILESCc1ncccc1NC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-7-8(3-2-5-12-7)13-11(18)14-9(4-6-15)10(16)17/h2-3,5,9,15H,4,6H2,1H3,(H,16,17)(H2,13,14,18)/t9-/m1/s1
InChIKeyGWOHORIVKZGVGE-SECBINFHSA-N
XLogP0.35
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 80755851
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828556
3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 79043662
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
2-[(2-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61229493
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
(2S)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005442
2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
CID 61227372
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid (CID 114005731) is (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid is Cc1ncccc1NC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The InChIKey is GWOHORIVKZGVGE-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-8(3-2-5-12-7)13-11(18)14-9(4-6-15)10(16)17/h2-3,5,9,15H,4,6H2,1H3,(H,16,17)(H2,13,14,18)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 114005731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).