1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 115434091

IUPAC1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCCCNC1CC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)14(6-1-2-7-14)10-17-13(20)16-9-3-8-15-11-4-5-11/h11,15H,1-10H2,(H,18,19)(H2,16,17,20)
InChIKeyBMCFZNDDHOWDOP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds8

About 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434091) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434091
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCCCNC1CC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)14(6-1-2-7-14)10-17-13(20)16-9-3-8-15-11-4-5-11/h11,15H,1-10H2,(H,18,19)(H2,16,17,20)
InChIKeyBMCFZNDDHOWDOP-UHFFFAOYSA-N
XLogP1.07
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81163436
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309790
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115434091) is 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCCCNC1CC1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is BMCFZNDDHOWDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-12(19)14(6-1-2-7-14)10-17-13(20)16-9-3-8-15-11-4-5-11/h11,15H,1-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).