4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid

C13H25N3O3 — CID 62050385

IUPAC4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NCCCNC1CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,7-6-11(17)18)16-12(19)15-9-3-8-14-10-4-5-10/h10,14H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyWUHCCFHEGVJYNP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.07
Rot. Bonds9

About 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid

4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 62050385) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid
PubChem CID62050385
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NCCCNC1CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,7-6-11(17)18)16-12(19)15-9-3-8-14-10-4-5-10/h10,14H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyWUHCCFHEGVJYNP-UHFFFAOYSA-N
XLogP1.07
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
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 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic 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

3-[3-(cyclopropylamino)propylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266295
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-methyl-4-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222819
4-methyl-4-(5-methylsulfanylpentylcarbamoylamino)pentanoic acid
CID 114128566
4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]hexanedioic acid
CID 107838733
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394
4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid
CID 62050392
4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61186754
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
4-methyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297600

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid (CID 62050385) is 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)NCCCNC1CC1.
What is the InChIKey of 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is WUHCCFHEGVJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,7-6-11(17)18)16-12(19)15-9-3-8-14-10-4-5-10/h10,14H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid?
4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.07, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62050385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).