(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid

C14H23NO4 — CID 106003701

IUPAC(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCCCC1CCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H23NO4/c16-13(11-7-8-12(19-11)14(17)18)15-9-3-6-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyALKJLPUXBCUDHL-NWDGAFQWSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds6

About (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 106003701) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID106003701
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCCCC1CCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H23NO4/c16-13(11-7-8-12(19-11)14(17)18)15-9-3-6-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyALKJLPUXBCUDHL-NWDGAFQWSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
3-cyclohexylpropylcarbamic acid
CID 54479876
(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102945305
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945281
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid (CID 106003701) is (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid is O=C(NCCCC1CCCC1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is ALKJLPUXBCUDHL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(11-7-8-12(19-11)14(17)18)15-9-3-6-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 106003701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).