(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid

C10H15NO4 — CID 102944218

IUPAC(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CC1
InChIInChI=1S/C10H15NO4/c1-11(6-2-3-6)9(12)7-4-5-8(15-7)10(13)14/h6-8H,2-5H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeySSHXRYPITGNVEH-JGVFFNPUSA-N
MW213.23 g/mol
LogP0.24
Rot. Bonds3

About (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944218) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944218
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CC1
InChIInChI=1S/C10H15NO4/c1-11(6-2-3-6)9(12)7-4-5-8(15-7)10(13)14/h6-8H,2-5H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeySSHXRYPITGNVEH-JGVFFNPUSA-N
XLogP0.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945325
(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945805
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687708
(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945282
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687681
(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945105
(2R,5S)-5-[methyl(2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945287
5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688926
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid (CID 102944218) is (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid is CN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CC1.
What is the InChIKey of (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SSHXRYPITGNVEH-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15NO4/c1-11(6-2-3-6)9(12)7-4-5-8(15-7)10(13)14/h6-8H,2-5H2,1H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).