(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid

C9H15NO5 — CID 107823475

IUPAC(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CCOC1
InChIInChI=1S/C9H15NO5/c11-3-1-7(9(13)14)10-8(12)6-2-4-15-5-6/h6-7,11H,1-5H2,(H,10,12)(H,13,14)/t6?,7-/m1/s1
InChIKeyVIOYDZVMNCQZTO-COBSHVIPSA-N
MW217.22 g/mol
LogP-1.03
Rot. Bonds5

About (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid

(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid (PubChem CID 107823475) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
PubChem CID107823475
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CCOC1
InChIInChI=1S/C9H15NO5/c11-3-1-7(9(13)14)10-8(12)6-2-4-15-5-6/h6-7,11H,1-5H2,(H,10,12)(H,13,14)/t6?,7-/m1/s1
InChIKeyVIOYDZVMNCQZTO-COBSHVIPSA-N
XLogP-1.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
4-methylsulfonyl-2-(oxolane-3-carbonylamino)butanoic acid
CID 61272830
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-6-diazo-5-oxo-2-[[(3R)-oxolane-3-carbonyl]amino]hexanoic acid
CID 170437424
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
(2S)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-4-hydroxybutanoic acid
CID 107822655
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091
6-diazo-2-[[(3R)-oxane-3-carbonyl]amino]-5-oxohexanoic acid
CID 170436844

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid (CID 107823475) is (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid is O=C(N[C@H](CCO)C(=O)O)C1CCOC1.
What is the InChIKey of (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid?
The InChIKey is VIOYDZVMNCQZTO-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15NO5/c11-3-1-7(9(13)14)10-8(12)6-2-4-15-5-6/h6-7,11H,1-5H2,(H,10,12)(H,13,14)/t6?,7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid?
(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid is sourced from PubChem (CID 107823475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).