(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid

C9H16N2O5 — CID 107823850

IUPAC(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CCOC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C9H16N2O5/c12-3-1-7(8(13)14)11-9(15)10-6-2-4-16-5-6/h6-7,12H,1-5H2,(H,13,14)(H2,10,11,15)/t6?,7-/m0/s1
InChIKeyPFGMOMVLIQCNFL-MLWJPKLSSA-N
MW232.24 g/mol
LogP-1.09
Rot. Bonds5

About (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid

(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid (PubChem CID 107823850) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
PubChem CID107823850
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CCOC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C9H16N2O5/c12-3-1-7(8(13)14)11-9(15)10-6-2-4-16-5-6/h6-7,12H,1-5H2,(H,13,14)(H2,10,11,15)/t6?,7-/m0/s1
InChIKeyPFGMOMVLIQCNFL-MLWJPKLSSA-N
XLogP-1.09
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 104929916
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005796
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
CID 107823475
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid (CID 107823850) is (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid is O=C(NC1CCOC1)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid?
The InChIKey is PFGMOMVLIQCNFL-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-3-1-7(8(13)14)11-9(15)10-6-2-4-16-5-6/h6-7,12H,1-5H2,(H,13,14)(H2,10,11,15)/t6?,7-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid?
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107823850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).