2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid

C21H29NO3 — CID 11551902

IUPAC2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2Cc3ccccc3C2)CCCC1)C(=O)O
InChIInChI=1S/C21H29NO3/c1-2-7-17(19(23)24)14-21(10-5-6-11-21)20(25)22-18-12-15-8-3-4-9-16(15)13-18/h3-4,8-9,17-18H,2,5-7,10-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyIJMNLPIVXCSBRI-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.72
Rot. Bonds7

About 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid

2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid (PubChem CID 11551902) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid
PubChem CID11551902
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2Cc3ccccc3C2)CCCC1)C(=O)O
InChIInChI=1S/C21H29NO3/c1-2-7-17(19(23)24)14-21(10-5-6-11-21)20(25)22-18-12-15-8-3-4-9-16(15)13-18/h3-4,8-9,17-18H,2,5-7,10-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyIJMNLPIVXCSBRI-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid with MolForge

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Related Compounds

1,2,2-Trimethyl-3-[(1-phenylethyl)carbamoyl]cyclopentanecarboxylic acid
CID 2827273
rac-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 9951444
(R)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 9969592
(S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl)carbamoyl)cyclopentyl)methyl)-4-methoxybutanoic acid
CID 10110899
2-[[1-[[2-(Hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
CID 10178428
(S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 44413815
3-Acetylamino-1-phenyl-cyclopentanecarboxylic acid
CID 650724
2-((1-(((1R,2R)-2-benzylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11531417
2-((1-(((R)-1-phenylethyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11652860
2-((1-(((S)-1-hydroxy-3-phenylpropan-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11682031
4-methoxy-2-[[1-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid
CID 44422183
2-(methoxymethyl)-3-[1-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]cyclopentyl]propanoic acid
CID 44422185

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid (CID 11551902) is 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NC2Cc3ccccc3C2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The InChIKey is IJMNLPIVXCSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-2-7-17(19(23)24)14-21(10-5-6-11-21)20(25)22-18-12-15-8-3-4-9-16(15)13-18/h3-4,8-9,17-18H,2,5-7,10-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid has a molecular weight of 343.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11551902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).