3-amino-3-(3-amino-2-methylphenyl)propanoic acid

C10H14N2O2 — CID 55297682

IUPAC3-amino-3-(3-amino-2-methylphenyl)propanoic acid
SMILESCc1c(N)cccc1C(N)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-7(3-2-4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)
InChIKeyKWKCXNRRESSNLW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-3-(3-amino-2-methylphenyl)propanoic acid

3-amino-3-(3-amino-2-methylphenyl)propanoic acid (PubChem CID 55297682) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-3-(3-amino-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-amino-2-methylphenyl)propanoic acid
PubChem CID55297682
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-3-(3-amino-2-methylphenyl)propanoic acid
SMILESCc1c(N)cccc1C(N)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-7(3-2-4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)
InChIKeyKWKCXNRRESSNLW-UHFFFAOYSA-N
XLogP1.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.05
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

(3S)-3-amino-3-(2,3-diaminophenyl)propanoic acid
CID 55268840
(3S)-3-amino-3-(3-iodo-2-methylphenyl)propanoic acid
CID 130747299
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
2,4-bis(3-amino-2-methylphenyl)pentan-3-one
CID 175239812
3-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791799
3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
CID 130141983
3-amino-3-(3-methoxy-2-methylsulfonylphenyl)propanoic acid
CID 117435625

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-amino-2-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-amino-2-methylphenyl)propanoic acid (CID 55297682) is 3-amino-3-(3-amino-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-amino-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-amino-2-methylphenyl)propanoic acid is Cc1c(N)cccc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(3-amino-2-methylphenyl)propanoic acid?
The InChIKey is KWKCXNRRESSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(3-2-4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(3-amino-2-methylphenyl)propanoic acid?
3-amino-3-(3-amino-2-methylphenyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-amino-2-methylphenyl)propanoic acid is sourced from PubChem (CID 55297682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).