2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid

C20H27NO5 — CID 11516039

IUPAC2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)O
InChIInChI=1S/C20H27NO5/c1-2-5-15(18(22)23)11-20(8-3-4-9-20)19(24)21-12-14-6-7-16-17(10-14)26-13-25-16/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyAWKDTQNBJJUGCQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.48
Rot. Bonds8

About 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid

2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid (PubChem CID 11516039) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid
PubChem CID11516039
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)O
InChIInChI=1S/C20H27NO5/c1-2-5-15(18(22)23)11-20(8-3-4-9-20)19(24)21-12-14-6-7-16-17(10-14)26-13-25-16/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyAWKDTQNBJJUGCQ-UHFFFAOYSA-N
XLogP3.48
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic 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

1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid
CID 62905415
(2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoic acid
CID 908999
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975205
3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66164930
N-(1,3-benzodioxol-5-ylmethyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76977173
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
CID 71860491
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pentanoic acid
CID 65054986

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid (CID 11516039) is 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The InChIKey is AWKDTQNBJJUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-2-5-15(18(22)23)11-20(8-3-4-9-20)19(24)21-12-14-6-7-16-17(10-14)26-13-25-16/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid has a molecular weight of 361.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11516039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).