(2S)-2-amino-4-phenylbutanoic acid

C10H13NO2 — CID 2724505

IUPAC(2S)-2-amino-4-phenylbutanoic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyJTTHKOPSMAVJFE-VIFPVBQESA-N
MW179.22 g/mol
LogP1.03
Rot. Bonds4

About (2S)-2-amino-4-phenylbutanoic acid

(2S)-2-amino-4-phenylbutanoic acid (PubChem CID 2724505) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S)-2-amino-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-phenylbutanoic acid
PubChem CID2724505
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2S)-2-amino-4-phenylbutanoic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyJTTHKOPSMAVJFE-VIFPVBQESA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-phenylbutanoic acid (CID 2724505) is (2S)-2-amino-4-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-phenylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-phenylbutanoic acid is N[C@@H](CCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-phenylbutanoic acid?
The InChIKey is JTTHKOPSMAVJFE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenylbutanoic acid?
(2S)-2-amino-4-phenylbutanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenylbutanoic acid is sourced from PubChem (CID 2724505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).