2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid

C9H16N2O5 — CID 66237262

IUPAC2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1COCC1N)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4(12)7(9(14)15)11-8(13)5-2-16-3-6(5)10/h4-7,12H,2-3,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyNZBMLBUYSUKXJR-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.09
Rot. Bonds4

About 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid

2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 66237262) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID66237262
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1COCC1N)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4(12)7(9(14)15)11-8(13)5-2-16-3-6(5)10/h4-7,12H,2-3,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyNZBMLBUYSUKXJR-UHFFFAOYSA-N
XLogP-2.09
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 66235445
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
CID 66238292
(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
CID 104965247
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
3-hydroxy-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824297

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid (CID 66237262) is 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)C1COCC1N)C(=O)O.
What is the InChIKey of 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is NZBMLBUYSUKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-4(12)7(9(14)15)11-8(13)5-2-16-3-6(5)10/h4-7,12H,2-3,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 232.24 g/mol, XLogP of -2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 66237262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).