(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid

C10H18N2O5 — CID 107826347

IUPAC(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CCOCC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H18N2O5/c13-4-1-8(9(14)15)12-10(16)11-7-2-5-17-6-3-7/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyBUVVNNHVIVFLHG-MRVPVSSYSA-N
MW246.26 g/mol
LogP-0.70
Rot. Bonds5

About (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid

(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid (PubChem CID 107826347) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
PubChem CID107826347
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CCOCC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H18N2O5/c13-4-1-8(9(14)15)12-10(16)11-7-2-5-17-6-3-7/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyBUVVNNHVIVFLHG-MRVPVSSYSA-N
XLogP-0.70
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)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

Related Compounds

(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005796
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid (CID 107826347) is (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid is O=C(NC1CCOCC1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid?
The InChIKey is BUVVNNHVIVFLHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O5/c13-4-1-8(9(14)15)12-10(16)11-7-2-5-17-6-3-7/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid?
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.70, 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-(oxan-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107826347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).