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

C10H13NO3 — CID 2761554

IUPAC(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid
SMILESN[C@H](CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyVUNPIAMEJXBAFP-QMMMGPOBSA-N
MW195.22 g/mol
LogP0.74
Rot. Bonds4

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

(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid (PubChem CID 2761554) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid
PubChem CID2761554
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid
SMILESN[C@H](CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyVUNPIAMEJXBAFP-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid?
The IUPAC name of (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid (CID 2761554) is (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid?
The canonical SMILES for (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid is N[C@H](CC(=O)O)Cc1ccc(O)cc1.
What is the InChIKey of (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid?
The InChIKey is VUNPIAMEJXBAFP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid?
(3S)-3-amino-4-(4-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 (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 2761554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).