(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

C13H19NO3 — CID 7408092

IUPAC(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
SMILESCC(C)(C)Oc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeySNZIFNXFAFKRKT-NSHDSACASA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds4

About (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid (PubChem CID 7408092) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
PubChem CID7408092
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
SMILESCC(C)(C)Oc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeySNZIFNXFAFKRKT-NSHDSACASA-N
XLogP1.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Tyrosine
CID 6057
Thyroxine
CID 5819
Liothyronine
CID 5920
3,5-diiodo-DL-thyronine
CID 123675
Liothyronine Sodium
CID 23666110
D-Thyroxine
CID 8730
D-Tyrosine
CID 71098
Dextrothyroxine Sodium Anhydrous
CID 23690433
(2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
CID 25201348
Levothyroxine Sodium
CID 23666112
3,5-Diiodothyronine, L-
CID 92859
DL-Tyrosine
CID 1153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid (CID 7408092) is (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid is CC(C)(C)Oc1ccc(C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
The InChIKey is SNZIFNXFAFKRKT-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid is sourced from PubChem (CID 7408092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).