(3R)-2-formamido-3-hydroxybutanoic acid

C5H9NO4 — CID 154963962

IUPAC(3R)-2-formamido-3-hydroxybutanoic acid
SMILESC[C@@H](O)C(NC=O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(8)4(5(9)10)6-2-7/h2-4,8H,1H3,(H,6,7)(H,9,10)/t3-,4?/m1/s1
InChIKeyXPMTWLZSOSJMDJ-SYPWQXSBSA-N
MW147.13 g/mol
LogP-1.43
Rot. Bonds4

About (3R)-2-formamido-3-hydroxybutanoic acid

(3R)-2-formamido-3-hydroxybutanoic acid (PubChem CID 154963962) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (3R)-2-formamido-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(3R)-2-formamido-3-hydroxybutanoic acid
PubChem CID154963962
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(3R)-2-formamido-3-hydroxybutanoic acid
SMILESC[C@@H](O)C(NC=O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(8)4(5(9)10)6-2-7/h2-4,8H,1H3,(H,6,7)(H,9,10)/t3-,4?/m1/s1
InChIKeyXPMTWLZSOSJMDJ-SYPWQXSBSA-N
XLogP-1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-formamidopropanoic acid;hydrochloride
CID 174752682
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
CID 88693917
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid
CID 101256897
3-hydroxy-2-(2-oxohydrazinyl)butanoic acid
CID 134347170
(2S,3R)-3-hydroxy-2-(hydroxymethylamino)butanoic acid
CID 54383324
(2S,3R)-3-hydroxy-2-(sulfanylmethylamino)butanoic acid
CID 87314479
(2S)-3-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 139430355
(2S)-2-formamidopropanoyl bromide
CID 139696812
(2S,3S)-3-formamido-2-hydroxy-5-methylhexanoic acid
CID 101256899
methyl (2R)-2-formamidopropanoate
CID 11651157

Frequently Asked Questions

What is the IUPAC name of (3R)-2-formamido-3-hydroxybutanoic acid?
The IUPAC name of (3R)-2-formamido-3-hydroxybutanoic acid (CID 154963962) is (3R)-2-formamido-3-hydroxybutanoic acid.
What is the SMILES notation for (3R)-2-formamido-3-hydroxybutanoic acid?
The canonical SMILES for (3R)-2-formamido-3-hydroxybutanoic acid is C[C@@H](O)C(NC=O)C(=O)O.
What is the InChIKey of (3R)-2-formamido-3-hydroxybutanoic acid?
The InChIKey is XPMTWLZSOSJMDJ-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(8)4(5(9)10)6-2-7/h2-4,8H,1H3,(H,6,7)(H,9,10)/t3-,4?/m1/s1.
What are the key properties of (3R)-2-formamido-3-hydroxybutanoic acid?
(3R)-2-formamido-3-hydroxybutanoic acid has a molecular weight of 147.13 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-formamido-3-hydroxybutanoic acid is sourced from PubChem (CID 154963962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).