2-amino-3-hydroxy-4-phenylbutanoic acid

C10H13NO3 — CID 19737121

IUPAC2-amino-3-hydroxy-4-phenylbutanoic acid
SMILESNC(C(=O)O)C(O)Cc1ccccc1
InChIInChI=1S/C10H13NO3/c11-9(10(13)14)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKeyCMGJFSCKGIKDJV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.00
Rot. Bonds4

About 2-amino-3-hydroxy-4-phenylbutanoic acid

2-amino-3-hydroxy-4-phenylbutanoic acid (PubChem CID 19737121) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-4-phenylbutanoic acid
PubChem CID19737121
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-3-hydroxy-4-phenylbutanoic acid
SMILESNC(C(=O)O)C(O)Cc1ccccc1
InChIInChI=1S/C10H13NO3/c11-9(10(13)14)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKeyCMGJFSCKGIKDJV-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4-phenylbutanoic acid?
The IUPAC name of 2-amino-3-hydroxy-4-phenylbutanoic acid (CID 19737121) is 2-amino-3-hydroxy-4-phenylbutanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-4-phenylbutanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-4-phenylbutanoic acid is NC(C(=O)O)C(O)Cc1ccccc1.
What is the InChIKey of 2-amino-3-hydroxy-4-phenylbutanoic acid?
The InChIKey is CMGJFSCKGIKDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-9(10(13)14)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14).
What are the key properties of 2-amino-3-hydroxy-4-phenylbutanoic acid?
2-amino-3-hydroxy-4-phenylbutanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4-phenylbutanoic acid is sourced from PubChem (CID 19737121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).