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

C9H11NO3 — CID 6057

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
MW181.19 g/mol
LogP0.35
Rot. Bonds3

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

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 6057) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
PubChem CID6057
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
XLogP0.35
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid (CID 6057) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid is N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is OUYCCCASQSFEME-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 6057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).