2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO3 — CID 103979033

IUPAC2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESC[C@@H](NC(=O)C1CCCC1C(=O)O)C1CCCC1
InChIInChI=1S/C14H23NO3/c1-9(10-5-2-3-6-10)15-13(16)11-7-4-8-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9-,11?,12?/m1/s1
InChIKeyACVJUTSZBLPUMH-OIKLOGQESA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds4

About 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103979033) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103979033
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESC[C@@H](NC(=O)C1CCCC1C(=O)O)C1CCCC1
InChIInChI=1S/C14H23NO3/c1-9(10-5-2-3-6-10)15-13(16)11-7-4-8-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9-,11?,12?/m1/s1
InChIKeyACVJUTSZBLPUMH-OIKLOGQESA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
(1S,6R)-6-(1-cyclobutylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962744
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090
2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790933
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477
(1S,6R)-6-(1-cyclopropylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962000
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103979033) is 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid is C[C@@H](NC(=O)C1CCCC1C(=O)O)C1CCCC1.
What is the InChIKey of 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ACVJUTSZBLPUMH-OIKLOGQESA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(10-5-2-3-6-10)15-13(16)11-7-4-8-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9-,11?,12?/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).