2-amino-4-[ethyl(propyl)amino]butanoic acid

C9H20N2O2 — CID 63027675

IUPAC2-amino-4-[ethyl(propyl)amino]butanoic acid
SMILESCCCN(CC)CCC(N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-6-11(4-2)7-5-8(10)9(12)13/h8H,3-7,10H2,1-2H3,(H,12,13)
InChIKeyZFNDGZUMLNODAU-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.52
Rot. Bonds7

About 2-amino-4-[ethyl(propyl)amino]butanoic acid

2-amino-4-[ethyl(propyl)amino]butanoic acid (PubChem CID 63027675) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-4-[ethyl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[ethyl(propyl)amino]butanoic acid
PubChem CID63027675
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-4-[ethyl(propyl)amino]butanoic acid
SMILESCCCN(CC)CCC(N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-6-11(4-2)7-5-8(10)9(12)13/h8H,3-7,10H2,1-2H3,(H,12,13)
InChIKeyZFNDGZUMLNODAU-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-[ethyl(propyl)amino]butanoic 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

Nicotianamine
CID 9882882
N(4)-acetyl-L-2,4-diaminobutyric acid
CID 441021
Carboxynorspermidine
CID 70678631
2-Amino-4-(methylamino)butanoic acid
CID 21295102
N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
CID 3450503
2-Azaniumyl-4-(3-azaniumylpropylazaniumyl)butanoate
CID 77908549
Carboxynorspermidine(2+)
CID 70678630
(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid
CID 44576592
Butanoic acid, 4-(acetylamino)-2-amino-
CID 902
alpha-Amino-2-carboxy-1-azetidinebutanoic acid
CID 13892425
(2S)-2-amino-4-(dimethylamino)butanoic acid dihydrochloride
CID 165798433
Carboxyspermidine(2+)
CID 70678730

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(propyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[ethyl(propyl)amino]butanoic acid (CID 63027675) is 2-amino-4-[ethyl(propyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[ethyl(propyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[ethyl(propyl)amino]butanoic acid is CCCN(CC)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[ethyl(propyl)amino]butanoic acid?
The InChIKey is ZFNDGZUMLNODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-6-11(4-2)7-5-8(10)9(12)13/h8H,3-7,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-[ethyl(propyl)amino]butanoic acid?
2-amino-4-[ethyl(propyl)amino]butanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(propyl)amino]butanoic acid is sourced from PubChem (CID 63027675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).