2-amino-2-(3-hydroxyphenyl)butanoic acid

C10H13NO3 — CID 21079809

IUPAC2-amino-2-(3-hydroxyphenyl)butanoic acid
SMILESCCC(N)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H13NO3/c1-2-10(11,9(13)14)7-4-3-5-8(12)6-7/h3-6,12H,2,11H2,1H3,(H,13,14)
InChIKeyFIBAOAPAZHIKJN-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-2-(3-hydroxyphenyl)butanoic acid

2-amino-2-(3-hydroxyphenyl)butanoic acid (PubChem CID 21079809) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-hydroxyphenyl)butanoic acid
PubChem CID21079809
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-2-(3-hydroxyphenyl)butanoic acid
SMILESCCC(N)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H13NO3/c1-2-10(11,9(13)14)7-4-3-5-8(12)6-7/h3-6,12H,2,11H2,1H3,(H,13,14)
InChIKeyFIBAOAPAZHIKJN-UHFFFAOYSA-N
XLogP1.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-methylphenyl)butanoic acid
CID 83698226
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
3-(3-aminopentan-3-yl)phenol
CID 23618552
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic acid
CID 62399034
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
2-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 21079814
2-[formyl(propyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 55232605

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxyphenyl)butanoic acid?
The IUPAC name of 2-amino-2-(3-hydroxyphenyl)butanoic acid (CID 21079809) is 2-amino-2-(3-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2-amino-2-(3-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2-amino-2-(3-hydroxyphenyl)butanoic acid is CCC(N)(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-amino-2-(3-hydroxyphenyl)butanoic acid?
The InChIKey is FIBAOAPAZHIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-10(11,9(13)14)7-4-3-5-8(12)6-7/h3-6,12H,2,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(3-hydroxyphenyl)butanoic acid?
2-amino-2-(3-hydroxyphenyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 21079809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).