2-methyl-2-(2-phenoxypropanoylamino)propanoic acid

C13H17NO4 — CID 61262074

IUPAC2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H17NO4/c1-9(18-10-7-5-4-6-8-10)11(15)14-13(2,3)12(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyNRJVVPCZENWQKA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.43
Rot. Bonds5

About 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid

2-methyl-2-(2-phenoxypropanoylamino)propanoic acid (PubChem CID 61262074) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
PubChem CID61262074
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H17NO4/c1-9(18-10-7-5-4-6-8-10)11(15)14-13(2,3)12(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyNRJVVPCZENWQKA-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
CID 61261172
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187453
2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 43360421
2-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187898
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxypropanamide
CID 119608690
N-methyl-2-phenoxypropanamide
CID 4626974
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-ethyl-2-phenoxypropanamide
CID 4282518
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid (CID 61262074) is 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid is CC(Oc1ccccc1)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid?
The InChIKey is NRJVVPCZENWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(18-10-7-5-4-6-8-10)11(15)14-13(2,3)12(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid?
2-methyl-2-(2-phenoxypropanoylamino)propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenoxypropanoylamino)propanoic acid is sourced from PubChem (CID 61262074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).