2-methyl-2-[(2-phenylacetyl)amino]propanoic acid

C12H15NO3 — CID 12973815

IUPAC2-methyl-2-[(2-phenylacetyl)amino]propanoic acid
SMILESCC(C)(NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO3/c1-12(2,11(15)16)13-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXXZZVABCVYYRSG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.21
Rot. Bonds4

About 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid

2-methyl-2-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 12973815) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-phenylacetyl)amino]propanoic acid
PubChem CID12973815
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-methyl-2-[(2-phenylacetyl)amino]propanoic acid
SMILESCC(C)(NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO3/c1-12(2,11(15)16)13-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXXZZVABCVYYRSG-UHFFFAOYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-phenylalanine
CID 74839
Phenylpropionylglycine
CID 152323
Phenylacetylglycine
CID 68144
Phe-Gly
CID 6992304
Afalanine
CID 2000
L-Phenylalanyl-L-alanine
CID 5488196
L-Phenylalanyl-L-leucine
CID 76808
N-oleoyl phenylalanine
CID 52922059
Phe-Val
CID 7359122
L-alanyl-L-phenylalanine
CID 96814
N-Acetyl-4-fluorophenylalanine
CID 2733295
N-Methylphenylalanine
CID 6951135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid (CID 12973815) is 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid is CC(C)(NC(=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is XXZZVABCVYYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2,11(15)16)13-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid?
2-methyl-2-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 12973815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).