(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid

C6H11NO4 — CID 88693917

IUPAC(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NCC=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(9)5(6(10)11)7-2-3-8/h3-5,7,9H,2H2,1H3,(H,10,11)/t4-,5+/m1/s1
InChIKeyRZLGXFJAOMJIHM-UHNVWZDZSA-N
MW161.16 g/mol
LogP-1.39
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid

(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid (PubChem CID 88693917) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
PubChem CID88693917
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NCC=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(9)5(6(10)11)7-2-3-8/h3-5,7,9H,2H2,1H3,(H,10,11)/t4-,5+/m1/s1
InChIKeyRZLGXFJAOMJIHM-UHNVWZDZSA-N
XLogP-1.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)
CID 88693916
(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
(3R)-2-formamido-3-hydroxybutanoic acid
CID 154963962
2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 90020733
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
3-methyl-2-(3-oxopropylamino)butanoic acid
CID 59132005
2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
CID 138543857
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid (CID 88693917) is (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid is C[C@@H](O)[C@H](NCC=O)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid?
The InChIKey is RZLGXFJAOMJIHM-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(9)5(6(10)11)7-2-3-8/h3-5,7,9H,2H2,1H3,(H,10,11)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid?
(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid is sourced from PubChem (CID 88693917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).