2-amino-2-[2-(aminomethyl)phenyl]propanoic acid

C10H14N2O2 — CID 18975915

IUPAC2-amino-2-[2-(aminomethyl)phenyl]propanoic acid
SMILESCC(N)(C(=O)O)c1ccccc1CN
InChIInChI=1S/C10H14N2O2/c1-10(12,9(13)14)8-5-3-2-4-7(8)6-11/h2-5H,6,11-12H2,1H3,(H,13,14)
InChIKeyGCPAHMFQAKCGCQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.40
Rot. Bonds3

About 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid

2-amino-2-[2-(aminomethyl)phenyl]propanoic acid (PubChem CID 18975915) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[2-(aminomethyl)phenyl]propanoic acid
PubChem CID18975915
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-amino-2-[2-(aminomethyl)phenyl]propanoic acid
SMILESCC(N)(C(=O)O)c1ccccc1CN
InChIInChI=1S/C10H14N2O2/c1-10(12,9(13)14)8-5-3-2-4-7(8)6-11/h2-5H,6,11-12H2,1H3,(H,13,14)
InChIKeyGCPAHMFQAKCGCQ-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
2-[2-[2-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 150452030
2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 162318731
(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid
CID 131173125
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 151721030
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid (CID 18975915) is 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid is CC(N)(C(=O)O)c1ccccc1CN.
What is the InChIKey of 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid?
The InChIKey is GCPAHMFQAKCGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(12,9(13)14)8-5-3-2-4-7(8)6-11/h2-5H,6,11-12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid?
2-amino-2-[2-(aminomethyl)phenyl]propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(aminomethyl)phenyl]propanoic acid is sourced from PubChem (CID 18975915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).