1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 61197210

IUPAC1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCCCN(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-4-7-10-15(2)12(18)14-13(11(16)17)8-5-6-9-13/h3-10H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyAEDVBGIUEDNIQI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.22
Rot. Bonds6

About 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61197210) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61197210
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCCCN(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-4-7-10-15(2)12(18)14-13(11(16)17)8-5-6-9-13/h3-10H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyAEDVBGIUEDNIQI-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 81057648
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 61197210) is 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCCCCN(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AEDVBGIUEDNIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-7-10-15(2)12(18)14-13(11(16)17)8-5-6-9-13/h3-10H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61197210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).