1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid

C12H19NO4 — CID 82760447

IUPAC1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)C1CCOC1
InChIInChI=1S/C12H19NO4/c1-12(11(15)16)5-2-3-9(12)13-10(14)8-4-6-17-7-8/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyJXWITLZHITZOJZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.78
Rot. Bonds3

About 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 82760447) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID82760447
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)C1CCOC1
InChIInChI=1S/C12H19NO4/c1-12(11(15)16)5-2-3-9(12)13-10(14)8-4-6-17-7-8/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyJXWITLZHITZOJZ-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-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

3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
CID 66256802
1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762632
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 82762406
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
1-methyl-2-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214275
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214162
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762408
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 82760447) is 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)C1CCOC1.
What is the InChIKey of 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is JXWITLZHITZOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(11(15)16)5-2-3-9(12)13-10(14)8-4-6-17-7-8/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).