2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid

C13H24N2O3 — CID 64700433

IUPAC2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
SMILESCCCCCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-3-6-9-14-12(18)15-13(10-11(16)17)7-4-5-8-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyODDANCUBHKOLBG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds7

About 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64700433) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64700433
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
SMILESCCCCCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-3-6-9-14-12(18)15-13(10-11(16)17)7-4-5-8-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyODDANCUBHKOLBG-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79850980
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106239741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid (CID 64700433) is 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid is CCCCCNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is ODDANCUBHKOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-6-9-14-12(18)15-13(10-11(16)17)7-4-5-8-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64700433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).