(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid

C10H17NO5 — CID 102944312

IUPAC(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCOCC(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H17NO5/c1-6(5-15-2)11-9(12)7-3-4-8(16-7)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6?,7-,8+/m0/s1
InChIKeySOIWXEYCFSLISF-ZHFSPANRSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds5

About (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944312) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944312
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCOCC(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H17NO5/c1-6(5-15-2)11-9(12)7-3-4-8(16-7)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6?,7-,8+/m0/s1
InChIKeySOIWXEYCFSLISF-ZHFSPANRSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic 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

5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944751
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
(2R,5S)-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945643
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
(1S,6R)-6-(1-methoxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104961987

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102944312) is (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid is COCC(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is SOIWXEYCFSLISF-ZHFSPANRSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(5-15-2)11-9(12)7-3-4-8(16-7)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6?,7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).