4-amino-3-(4-aminophenyl)butanoic acid

C10H14N2O2 — CID 15091311

IUPAC4-amino-3-(4-aminophenyl)butanoic acid
SMILESNCC(CC(=O)O)c1ccc(N)cc1
InChIInChI=1S/C10H14N2O2/c11-6-8(5-10(13)14)7-1-3-9(12)4-2-7/h1-4,8H,5-6,11-12H2,(H,13,14)
InChIKeyRDPVGWKEULFEPI-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-3-(4-aminophenyl)butanoic acid

4-amino-3-(4-aminophenyl)butanoic acid (PubChem CID 15091311) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-amino-3-(4-aminophenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-aminophenyl)butanoic acid
PubChem CID15091311
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-amino-3-(4-aminophenyl)butanoic acid
SMILESNCC(CC(=O)O)c1ccc(N)cc1
InChIInChI=1S/C10H14N2O2/c11-6-8(5-10(13)14)7-1-3-9(12)4-2-7/h1-4,8H,5-6,11-12H2,(H,13,14)
InChIKeyRDPVGWKEULFEPI-UHFFFAOYSA-N
XLogP0.79
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid
CID 66098947
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
1,1,5,5-tetrakis(4-aminophenyl)pentan-3-one
CID 174920568
4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
4-amino-3-(3-cyclopropylphenyl)butanoic acid
CID 79978164
4-amino-3-(5-chloro-3-pyridinyl)butanoic acid
CID 84680612
(3S)-7-amino-3-phenylheptanoic acid
CID 70002010
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
3-(4-methylsulfanylphenyl)pentanedioic acid
CID 175520589
(3R)-4-amino-3-[4-chloro-3-(3-chloro-4-hydroxyphenyl)phenyl]butanoic acid;hydrochloride
CID 66725043
(5S)-6-amino-5-(4-chlorophenyl)-2-methylhexan-3-one
CID 159651143

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-aminophenyl)butanoic acid?
The IUPAC name of 4-amino-3-(4-aminophenyl)butanoic acid (CID 15091311) is 4-amino-3-(4-aminophenyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(4-aminophenyl)butanoic acid?
The canonical SMILES for 4-amino-3-(4-aminophenyl)butanoic acid is NCC(CC(=O)O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-3-(4-aminophenyl)butanoic acid?
The InChIKey is RDPVGWKEULFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-8(5-10(13)14)7-1-3-9(12)4-2-7/h1-4,8H,5-6,11-12H2,(H,13,14).
What are the key properties of 4-amino-3-(4-aminophenyl)butanoic acid?
4-amino-3-(4-aminophenyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-aminophenyl)butanoic acid is sourced from PubChem (CID 15091311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).