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

C21H35NO5 — CID 19775810

IUPAC2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2CCCC(C(=O)OCC)C2)CCCC1)C(=O)O
InChIInChI=1S/C21H35NO5/c1-3-8-16(18(23)24)14-21(11-5-6-12-21)20(26)22-17-10-7-9-15(13-17)19(25)27-4-2/h15-17H,3-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQFWAOVZBFRELBF-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.68
Rot. Bonds9

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

2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 19775810) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID19775810
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Name2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2CCCC(C(=O)OCC)C2)CCCC1)C(=O)O
InChIInChI=1S/C21H35NO5/c1-3-8-16(18(23)24)14-21(11-5-6-12-21)20(26)22-17-10-7-9-15(13-17)19(25)27-4-2/h15-17H,3-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQFWAOVZBFRELBF-UHFFFAOYSA-N
XLogP3.68
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 19775810) is 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NC2CCCC(C(=O)OCC)C2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is QFWAOVZBFRELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO5/c1-3-8-16(18(23)24)14-21(11-5-6-12-21)20(26)22-17-10-7-9-15(13-17)19(25)27-4-2/h15-17H,3-14H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 381.51 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 19775810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).