5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid

C16H27NO4 — CID 102688711

IUPAC5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)CCN(C(=O)C1CCC(C(=O)O)O1)C1CCCC1
InChIInChI=1S/C16H27NO4/c1-11(2)9-10-17(12-5-3-4-6-12)15(18)13-7-8-14(21-13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyZELBVUQAUYDBBI-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.44
Rot. Bonds6

About 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid

5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688711) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688711
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)CCN(C(=O)C1CCC(C(=O)O)O1)C1CCCC1
InChIInChI=1S/C16H27NO4/c1-11(2)9-10-17(12-5-3-4-6-12)15(18)13-7-8-14(21-13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyZELBVUQAUYDBBI-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687708
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945325
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
N-cyclopentyl-N-(2-hydroxyethyl)-5-methyloxolane-2-carboxamide
CID 81330576
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688859
N-cyclopropyl-N-(3-methylbutyl)morpholine-2-carboxamide;hydrochloride
CID 119728977
(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945105

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688711) is 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid is CC(C)CCN(C(=O)C1CCC(C(=O)O)O1)C1CCCC1.
What is the InChIKey of 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ZELBVUQAUYDBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-11(2)9-10-17(12-5-3-4-6-12)15(18)13-7-8-14(21-13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid?
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).