(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid

C9H12N2O3 — CID 55268755

IUPAC(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid
SMILESC[C@](N)(CC(=O)O)c1ncccc1O
InChIInChI=1S/C9H12N2O3/c1-9(10,5-7(13)14)8-6(12)3-2-4-11-8/h2-4,12H,5,10H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyOUJYXQIQBLUAOK-VIFPVBQESA-N
MW196.21 g/mol
LogP0.44
Rot. Bonds3

About (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid

(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid (PubChem CID 55268755) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid
PubChem CID55268755
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid
SMILESC[C@](N)(CC(=O)O)c1ncccc1O
InChIInChI=1S/C9H12N2O3/c1-9(10,5-7(13)14)8-6(12)3-2-4-11-8/h2-4,12H,5,10H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyOUJYXQIQBLUAOK-VIFPVBQESA-N
XLogP0.44
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Nikkomycin D
CID 329321
Azatyrosine
CID 10986910
beta-(5-Hydroxy-2-pyridyl)alanine
CID 122047
Siderochelin C
CID 146793
Ethyl 2-(3-hydroxypyridin-2-yl)acetate
CID 13384341
2-(5-Hydroxypyridin-2-yl)acetic acid
CID 68944381
4'-Hydroxy-2'-pyridinyl homothreonine
CID 101606496
(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide
CID 135801683
Siderochelin B
CID 139589101
5-Hydroxy-2-pyridylglycine
CID 194761
Siderochelin A
CID 3086073
2-Amino-3-(5-hydroxy-2-pyridinyl)propanamide
CID 385336

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid?
The IUPAC name of (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid (CID 55268755) is (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid?
The canonical SMILES for (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid is C[C@](N)(CC(=O)O)c1ncccc1O.
What is the InChIKey of (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid?
The InChIKey is OUJYXQIQBLUAOK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(10,5-7(13)14)8-6(12)3-2-4-11-8/h2-4,12H,5,10H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid?
(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid is sourced from PubChem (CID 55268755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).