2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid

C11H22N2O2 — CID 114988166

IUPAC2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCCCNC1CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-11(2,10(14)15)13-8-4-7-12-9-5-6-9/h9,12-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCVZMMMKNQZMOCW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.97
Rot. Bonds8

About 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid

2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid (PubChem CID 114988166) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid
PubChem CID114988166
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCCCNC1CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-11(2,10(14)15)13-8-4-7-12-9-5-6-9/h9,12-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCVZMMMKNQZMOCW-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic 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

2-(3-fluoropropylamino)-2-methylbutanoic acid
CID 81114600
2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
CID 79790302
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
3-[3-(cyclopropylamino)propylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266295
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
CID 114994322
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
4-(cyclobutylamino)-2,2-dimethylbutanoic acid
CID 115221054
2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
CID 78948127
2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
CID 114991643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid (CID 114988166) is 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid is CCC(C)(NCCCNC1CC1)C(=O)O.
What is the InChIKey of 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid?
The InChIKey is CVZMMMKNQZMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(2,10(14)15)13-8-4-7-12-9-5-6-9/h9,12-13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid?
2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid is sourced from PubChem (CID 114988166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).