2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid

C14H26N2O4 — CID 79385482

IUPAC2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O4/c1-4-16(10-13(2,3)20)12(19)15-14(9-11(17)18)7-5-6-8-14/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZYDBKCQRICNJSL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 79385482) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID79385482
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O4/c1-4-16(10-13(2,3)20)12(19)15-14(9-11(17)18)7-5-6-8-14/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZYDBKCQRICNJSL-UHFFFAOYSA-N
XLogP1.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702253
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64700480
2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64701474
2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842224
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 79385482) is 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid is CCN(CC(C)(C)O)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is ZYDBKCQRICNJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-16(10-13(2,3)20)12(19)15-14(9-11(17)18)7-5-6-8-14/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 79385482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).