2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid

C12H22N2O3 — CID 64701206

IUPAC2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
SMILESCCN(CC)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-14(4-2)11(17)13-12(9-10(15)16)7-5-6-8-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyARFCFEWOLVEPCD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701206) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701206
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
SMILESCCN(CC)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-14(4-2)11(17)13-12(9-10(15)16)7-5-6-8-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyARFCFEWOLVEPCD-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702253
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64700480
2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842224
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid (CID 64701206) is 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid is CCN(CC)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is ARFCFEWOLVEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(4-2)11(17)13-12(9-10(15)16)7-5-6-8-12/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).