2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid

C9H12N2O3 — CID 5134354

IUPAC2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
SMILESNc1cc(O)ccc1CC(N)C(=O)O
InChIInChI=1S/C9H12N2O3/c10-7-4-6(12)2-1-5(7)3-8(11)9(13)14/h1-2,4,8,12H,3,10-11H2,(H,13,14)
InChIKeyPQUSMXUQSMSWNN-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.07
Rot. Bonds3

About 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid

2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid (PubChem CID 5134354) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
PubChem CID5134354
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
SMILESNc1cc(O)ccc1CC(N)C(=O)O
InChIInChI=1S/C9H12N2O3/c10-7-4-6(12)2-1-5(7)3-8(11)9(13)14/h1-2,4,8,12H,3,10-11H2,(H,13,14)
InChIKeyPQUSMXUQSMSWNN-UHFFFAOYSA-N
XLogP-0.07
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid
CID 130607819
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
CID 57008274
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
(2S)-2-amino-3-[2-(1,3-disulfopropan-2-yl)-4-hydroxyphenyl]propanoic acid
CID 56993310
(2S)-2-amino-3-[3-amino-4-(sulfanylmethyl)phenyl]propanoic acid
CID 88757586
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-[2-(2-benzoylphenyl)-4-hydroxyphenyl]propanoic acid
CID 68571937

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid (CID 5134354) is 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid is Nc1cc(O)ccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid?
The InChIKey is PQUSMXUQSMSWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-7-4-6(12)2-1-5(7)3-8(11)9(13)14/h1-2,4,8,12H,3,10-11H2,(H,13,14).
What are the key properties of 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid?
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 5134354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).