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

C11H16N2O2 — CID 57255399

IUPAC3-amino-3-(4-aminophenyl)pentanoic acid
SMILESCCC(N)(CC(=O)O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-11(13,7-10(14)15)8-3-5-9(12)6-4-8/h3-6H,2,7,12-13H2,1H3,(H,14,15)
InChIKeyUJIIUZLSSBJZGC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.31
Rot. Bonds4

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

3-amino-3-(4-aminophenyl)pentanoic acid (PubChem CID 57255399) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-3-(4-aminophenyl)pentanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-aminophenyl)pentanoic acid
PubChem CID57255399
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-3-(4-aminophenyl)pentanoic acid
SMILESCCC(N)(CC(=O)O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-11(13,7-10(14)15)8-3-5-9(12)6-4-8/h3-6H,2,7,12-13H2,1H3,(H,14,15)
InChIKeyUJIIUZLSSBJZGC-UHFFFAOYSA-N
XLogP1.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.31
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

3-amino-3-(4-bromophenyl)pentanoic acid
CID 64664733
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
2-(4-aminophenyl)-2-methylbutanoic acid
CID 67863083
methyl 3-amino-3-(4-bromophenyl)pentanoate
CID 79848287
4-(3-aminopentan-3-yl)phenol
CID 23621887
2-[(4-aminobenzoyl)amino]-2-ethylbutanoic acid
CID 142416078
4-(4-aminophenyl)-4-cyanohexanoic acid
CID 22921469
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 67665746
3-phenylhexan-3-amine
CID 60794511
ethane;4-methylaniline;propanoic acid
CID 143544103
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-aminophenyl)pentanoic acid?
The IUPAC name of 3-amino-3-(4-aminophenyl)pentanoic acid (CID 57255399) is 3-amino-3-(4-aminophenyl)pentanoic acid.
What is the SMILES notation for 3-amino-3-(4-aminophenyl)pentanoic acid?
The canonical SMILES for 3-amino-3-(4-aminophenyl)pentanoic acid is CCC(N)(CC(=O)O)c1ccc(N)cc1.
What is the InChIKey of 3-amino-3-(4-aminophenyl)pentanoic acid?
The InChIKey is UJIIUZLSSBJZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-11(13,7-10(14)15)8-3-5-9(12)6-4-8/h3-6H,2,7,12-13H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(4-aminophenyl)pentanoic acid?
3-amino-3-(4-aminophenyl)pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-aminophenyl)pentanoic acid is sourced from PubChem (CID 57255399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).