3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 114178456

IUPAC3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCC2CO)C1
InChIInChI=1S/C13H21NO4/c15-7-10-2-1-3-11(10)14-12(16)8-4-5-9(6-8)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyNKMRFBYKYZLFPQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.76
Rot. Bonds4

About 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114178456) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114178456
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCC2CO)C1
InChIInChI=1S/C13H21NO4/c15-7-10-2-1-3-11(10)14-12(16)8-4-5-9(6-8)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyNKMRFBYKYZLFPQ-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 106359251
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-[2-(hydroxymethyl)cyclopentyl]adamantane-2-carboxamide
CID 103751548
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
CID 103811440
(2R)-N-[2-(hydroxymethyl)cyclopentyl]azetidine-2-carboxamide;hydrochloride
CID 130748048
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-2-carboxamide
CID 106361223
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide
CID 97080184

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114178456) is 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCCC2CO)C1.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NKMRFBYKYZLFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-7-10-2-1-3-11(10)14-12(16)8-4-5-9(6-8)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114178456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).