3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid

C9H15NO4 — CID 103550132

IUPAC3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCO)C1
InChIInChI=1S/C9H15NO4/c11-4-3-10-8(12)6-1-2-7(5-6)9(13)14/h6-7,11H,1-5H2,(H,10,12)(H,13,14)
InChIKeyYLTLWWFIOJPELN-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.40
Rot. Bonds4

About 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid

3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550132) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550132
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCO)C1
InChIInChI=1S/C9H15NO4/c11-4-3-10-8(12)6-1-2-7(5-6)9(13)14/h6-7,11H,1-5H2,(H,10,12)(H,13,14)
InChIKeyYLTLWWFIOJPELN-UHFFFAOYSA-N
XLogP-0.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-Trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549869
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550454
3-(3,3,3-Trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550729
3-(2,2-Difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551037
3-(5,5,5-Trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551039
3-(4,4,4-Trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551040
cis-(1S,3R)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105632687
cis-(1S,3R)-3-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105638193
cis-(1S,3R)-3-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640457
cis-(1S,3R)-3-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640478
cis-(1S,3R)-3-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105643955
cis-(1S,3R)-3-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105645240

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550132) is 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCO)C1.
What is the InChIKey of 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is YLTLWWFIOJPELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-4-3-10-8(12)6-1-2-7(5-6)9(13)14/h6-7,11H,1-5H2,(H,10,12)(H,13,14).
What are the key properties of 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).