1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 29006531

IUPAC1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-7-10-14-12(18)15-13(11(16)17)8-5-6-9-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyGEQQFNMSYRJITP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds7

About 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 29006531) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID29006531
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-7-10-14-12(18)15-13(11(16)17)8-5-6-9-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyGEQQFNMSYRJITP-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

(S)-2-(3-isopropylureido)-4-methylpentanoic acid
CID 663650
(S)-2-(3-Isopropyl-ureido)-3-methyl-pentanoic acid
CID 9550048
(2S)-2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
CID 664805
(R)-2-(3-Isobutyl-ureido)-4-methyl-pentanoic acid
CID 1854707
1-Ureidocyclopentanecarboxylic acid
CID 234095
1-((Ethylcarbamoyl)amino)cyclopentane-1-carboxylic acid
CID 16790939
Cyclopentanecarboxylic acid, 1-[2-(2-aminoacetamido)acetamido]-, hydrate
CID 254987
N-(cyclohexylcarbamoyl)leucine
CID 4208059
1-{[(Propan-2-yl)carbamoyl]amino}cyclohexane-1-carboxylic acid
CID 16789773
2-Isopropyl-1-(methylcarbamoylamino)cyclopropanecarboxylic acid
CID 399301
(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid
CID 20593376
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoic acid
CID 946421

Frequently Asked Questions

What is the IUPAC name of 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 29006531) is 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid is CCCCCCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is GEQQFNMSYRJITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-4-7-10-14-12(18)15-13(11(16)17)8-5-6-9-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic 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 1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 29006531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).