2-[methyl(3-phenoxypropanoyl)amino]propanoic acid

C13H17NO4 — CID 62626003

IUPAC2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCOc1ccccc1
InChIInChI=1S/C13H17NO4/c1-10(13(16)17)14(2)12(15)8-9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyBNTCUURQUGNUBP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.39
Rot. Bonds6

About 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid

2-[methyl(3-phenoxypropanoyl)amino]propanoic acid (PubChem CID 62626003) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
PubChem CID62626003
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCOc1ccccc1
InChIInChI=1S/C13H17NO4/c1-10(13(16)17)14(2)12(15)8-9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyBNTCUURQUGNUBP-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
2-[methyl-[3-(4-methylsulfonylphenoxy)propanoyl]amino]propanoic acid
CID 119358763
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
2-[4-(4-bromophenoxy)butanoyl-methylamino]propanoic acid
CID 62626731
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
2-[4-(3,4-dimethylphenoxy)butanoyl-methylamino]propanoic acid
CID 119358257
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
CID 62626374
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid (CID 62626003) is 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)CCOc1ccccc1.
What is the InChIKey of 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid?
The InChIKey is BNTCUURQUGNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(13(16)17)14(2)12(15)8-9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid?
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenoxypropanoyl)amino]propanoic acid is sourced from PubChem (CID 62626003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).