2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C21H36N2O4 — CID 11689439

IUPAC2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2CCCC(C(=O)N(C)C)C2)CCCC1)C(=O)O
InChIInChI=1S/C21H36N2O4/c1-4-8-16(19(25)26)14-21(11-5-6-12-21)20(27)22-17-10-7-9-15(13-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyDXFWFDIVNNUBBJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.20
Rot. Bonds8

About 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11689439) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11689439
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2CCCC(C(=O)N(C)C)C2)CCCC1)C(=O)O
InChIInChI=1S/C21H36N2O4/c1-4-8-16(19(25)26)14-21(11-5-6-12-21)20(27)22-17-10-7-9-15(13-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyDXFWFDIVNNUBBJ-UHFFFAOYSA-N
XLogP3.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]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

cis-2-((1-((4-(Dimethylcarbamoyl)cyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11682380
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]heptanoic acid
CID 657819
2-[1-[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 2421904
cis-2-((1-((4-Carbamoylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11515875
2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11537626
2-((1-(((1R,3S)-3-carbamoylcyclopentyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11566264
3-Cyclohexylcarbamoyl-1,2,2-trimethyl-cyclopentanecarboxylic acid
CID 2837985
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
trans-(1S,3R)-3-(cyclohexylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 750960
cis,cis-1,3,5-Trimethyl-3,5-bis[(s)-1-cyclohexyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129691092
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 3125314

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11689439) is 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NC2CCCC(C(=O)N(C)C)C2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is DXFWFDIVNNUBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-4-8-16(19(25)26)14-21(11-5-6-12-21)20(27)22-17-10-7-9-15(13-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26).
What are the key properties of 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 380.53 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[3-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11689439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).