3-[amino(propan-2-yl)amino]propanoic acid

C6H14N2O2 — CID 150878965

IUPAC3-[amino(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(N)CCC(=O)O
InChIInChI=1S/C6H14N2O2/c1-5(2)8(7)4-3-6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyKVPGCMHZJGEAFA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.05
Rot. Bonds4

About 3-[amino(propan-2-yl)amino]propanoic acid

3-[amino(propan-2-yl)amino]propanoic acid (PubChem CID 150878965) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-[amino(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[amino(propan-2-yl)amino]propanoic acid
PubChem CID150878965
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3-[amino(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(N)CCC(=O)O
InChIInChI=1S/C6H14N2O2/c1-5(2)8(7)4-3-6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyKVPGCMHZJGEAFA-UHFFFAOYSA-N
XLogP0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[amino(propan-2-yl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[amino(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[amino(propan-2-yl)amino]propanoic acid (CID 150878965) is 3-[amino(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[amino(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[amino(propan-2-yl)amino]propanoic acid is CC(C)N(N)CCC(=O)O.
What is the InChIKey of 3-[amino(propan-2-yl)amino]propanoic acid?
The InChIKey is KVPGCMHZJGEAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(2)8(7)4-3-6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of 3-[amino(propan-2-yl)amino]propanoic acid?
3-[amino(propan-2-yl)amino]propanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 150878965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).