1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 113309359

IUPAC1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CCCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-11(2)6-5-9-15-13(19)16-10-14(12(17)18)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCCLPXNKJIADHEJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds7

About 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309359) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309359
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CCCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-11(2)6-5-9-15-13(19)16-10-14(12(17)18)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCCLPXNKJIADHEJ-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
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

1-[(5-methylhexylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312630
4-[(4-methylpentylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440519
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
4-[(5-methylhexylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440627
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309790
1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106038890
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(3-methylsulfinylbutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113490762

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309359) is 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)CCCNC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is CCLPXNKJIADHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)6-5-9-15-13(19)16-10-14(12(17)18)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).