(2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid

C10H17NO5 — CID 28777457

IUPAC(2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5/c1-6(12)8(10(14)15)11-9(13)7-2-4-16-5-3-7/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6-,8+/m1/s1
InChIKeyYJINRTQPFRWJNL-SVRRBLITSA-N
MW231.25 g/mol
LogP-0.64
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid

(2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid (PubChem CID 28777457) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid
PubChem CID28777457
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5/c1-6(12)8(10(14)15)11-9(13)7-2-4-16-5-3-7/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6-,8+/m1/s1
InChIKeyYJINRTQPFRWJNL-SVRRBLITSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid (CID 28777457) is (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid is C[C@@H](O)[C@H](NC(=O)C1CCOCC1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid?
The InChIKey is YJINRTQPFRWJNL-SVRRBLITSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(12)8(10(14)15)11-9(13)7-2-4-16-5-3-7/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid?
(2S,3R)-3-hydroxy-2-(oxane-4-carbonylamino)butanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.64, 4 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-(oxane-4-carbonylamino)butanoic acid is sourced from PubChem (CID 28777457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).