1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C14H24N2O3 — CID 106005250

IUPAC1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCCCC1CCCC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c17-12(18)14(7-8-14)10-16-13(19)15-9-3-6-11-4-1-2-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyXSJHODVZSHZVEW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds7

About 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 106005250) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID106005250
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCCCC1CCCC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c17-12(18)14(7-8-14)10-16-13(19)15-9-3-6-11-4-1-2-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyXSJHODVZSHZVEW-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
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-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446860
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
3-cyclohexylpropylcarbamic acid
CID 54479876
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 106005250) is 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCCCC1CCCC1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XSJHODVZSHZVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12(18)14(7-8-14)10-16-13(19)15-9-3-6-11-4-1-2-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106005250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).