4-amino-4-(5-amino-3-pyridinyl)butanoic acid

C9H13N3O2 — CID 55269479

IUPAC4-amino-4-(5-amino-3-pyridinyl)butanoic acid
SMILESNc1cncc(C(N)CCC(=O)O)c1
InChIInChI=1S/C9H13N3O2/c10-7-3-6(4-12-5-7)8(11)1-2-9(13)14/h3-5,8H,1-2,10-11H2,(H,13,14)
InChIKeyYCDUZRMUJXONME-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-4-(5-amino-3-pyridinyl)butanoic acid

4-amino-4-(5-amino-3-pyridinyl)butanoic acid (PubChem CID 55269479) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-4-(5-amino-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5-amino-3-pyridinyl)butanoic acid
PubChem CID55269479
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-4-(5-amino-3-pyridinyl)butanoic acid
SMILESNc1cncc(C(N)CCC(=O)O)c1
InChIInChI=1S/C9H13N3O2/c10-7-3-6(4-12-5-7)8(11)1-2-9(13)14/h3-5,8H,1-2,10-11H2,(H,13,14)
InChIKeyYCDUZRMUJXONME-UHFFFAOYSA-N
XLogP0.53
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-4-(5-amino-3-pyridinyl)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

4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705
3-amino-3-(5-amino-3-pyridinyl)propan-1-ol
CID 55292622
4-amino-4-(5-ethoxycarbonyl-3-pyridinyl)butanoic acid
CID 165346080
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid
CID 55269109
4-amino-4-(1,3-oxazol-5-yl)butanoic acid
CID 82598143
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
CID 55265570
3-(5-amino-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867613
5-(1-amino-3-carboxypropyl)-2,3-dimethylbenzoic acid
CID 117380954
4-amino-4-(3-bromo-4,5-dimethylphenyl)butanoic acid
CID 84813620

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-amino-3-pyridinyl)butanoic acid?
The IUPAC name of 4-amino-4-(5-amino-3-pyridinyl)butanoic acid (CID 55269479) is 4-amino-4-(5-amino-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5-amino-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-amino-4-(5-amino-3-pyridinyl)butanoic acid is Nc1cncc(C(N)CCC(=O)O)c1.
What is the InChIKey of 4-amino-4-(5-amino-3-pyridinyl)butanoic acid?
The InChIKey is YCDUZRMUJXONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-3-6(4-12-5-7)8(11)1-2-9(13)14/h3-5,8H,1-2,10-11H2,(H,13,14).
What are the key properties of 4-amino-4-(5-amino-3-pyridinyl)butanoic acid?
4-amino-4-(5-amino-3-pyridinyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-amino-3-pyridinyl)butanoic acid is sourced from PubChem (CID 55269479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).