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

C10H13NO3 — CID 55252577

IUPAC2-amino-4-(3-hydroxyphenyl)butanoic acid
SMILESNC(CCc1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H13NO3/c11-9(10(13)14)5-4-7-2-1-3-8(12)6-7/h1-3,6,9,12H,4-5,11H2,(H,13,14)
InChIKeyGRRGGZXWVQKKKL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.74
Rot. Bonds4

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

2-amino-4-(3-hydroxyphenyl)butanoic acid (PubChem CID 55252577) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)butanoic acid
PubChem CID55252577
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-4-(3-hydroxyphenyl)butanoic acid
SMILESNC(CCc1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H13NO3/c11-9(10(13)14)5-4-7-2-1-3-8(12)6-7/h1-3,6,9,12H,4-5,11H2,(H,13,14)
InChIKeyGRRGGZXWVQKKKL-UHFFFAOYSA-N
XLogP0.74
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-formylphenyl)butanoic acid
CID 118608231
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
2-amino-5-(3-bromophenyl)pentanoic acid
CID 83664408
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
4-(3-hydroxyphenyl)-2-(4-phenylphenyl)butanamide
CID 174603850
(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
CID 174797793
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)butanoic acid?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)butanoic acid (CID 55252577) is 2-amino-4-(3-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)butanoic acid is NC(CCc1cccc(O)c1)C(=O)O.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)butanoic acid?
The InChIKey is GRRGGZXWVQKKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-9(10(13)14)5-4-7-2-1-3-8(12)6-7/h1-3,6,9,12H,4-5,11H2,(H,13,14).
What are the key properties of 2-amino-4-(3-hydroxyphenyl)butanoic acid?
2-amino-4-(3-hydroxyphenyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 55252577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).