3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C11H20N2O4 — CID 66032028

IUPAC3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CCO)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-2-13(5-6-14)11(17)12-9-4-3-8(7-9)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyWSCBNEKIJXUENW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds5

About 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66032028) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66032028
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CCO)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-2-13(5-6-14)11(17)12-9-4-3-8(7-9)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyWSCBNEKIJXUENW-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319531
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 111123429
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66032028) is 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(CCO)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WSCBNEKIJXUENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-13(5-6-14)11(17)12-9-4-3-8(7-9)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).