2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C13H23NO5 — CID 114511610

IUPAC2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(CCO)CCO)C1
InChIInChI=1S/C13H23NO5/c1-2-9-7-10(11(8-9)13(18)19)12(17)14(3-5-15)4-6-16/h9-11,15-16H,2-8H2,1H3,(H,18,19)
InChIKeyGUXXFNQYDUWGFF-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.06
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511610) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511610
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(CCO)CCO)C1
InChIInChI=1S/C13H23NO5/c1-2-9-7-10(11(8-9)13(18)19)12(17)14(3-5-15)4-6-16/h9-11,15-16H,2-8H2,1H3,(H,18,19)
InChIKeyGUXXFNQYDUWGFF-UHFFFAOYSA-N
XLogP-0.06
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512018
2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511800
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 106914945
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511437
4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511568
2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511249
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 107846690
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511610) is 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(CCO)CCO)C1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is GUXXFNQYDUWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-2-9-7-10(11(8-9)13(18)19)12(17)14(3-5-15)4-6-16/h9-11,15-16H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).