methyl 2-[methyl(2-phenylpropanoyl)amino]acetate

C13H17NO3 — CID 104916610

IUPACmethyl 2-[methyl(2-phenylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(11-7-5-4-6-8-11)13(16)14(2)9-12(15)17-3/h4-8,10H,9H2,1-3H3
InChIKeyLAHSMQJNNVVUSS-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.42
Rot. Bonds4

About methyl 2-[methyl(2-phenylpropanoyl)amino]acetate

methyl 2-[methyl(2-phenylpropanoyl)amino]acetate (PubChem CID 104916610) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-[methyl(2-phenylpropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-phenylpropanoyl)amino]acetate
PubChem CID104916610
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-[methyl(2-phenylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(11-7-5-4-6-8-11)13(16)14(2)9-12(15)17-3/h4-8,10H,9H2,1-3H3
InChIKeyLAHSMQJNNVVUSS-UHFFFAOYSA-N
XLogP1.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
CID 78324200
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
CID 42192377
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-phenylpropanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2-phenylpropanoyl)amino]acetate (CID 104916610) is methyl 2-[methyl(2-phenylpropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2-phenylpropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2-phenylpropanoyl)amino]acetate is COC(=O)CN(C)C(=O)C(C)c1ccccc1.
What is the InChIKey of methyl 2-[methyl(2-phenylpropanoyl)amino]acetate?
The InChIKey is LAHSMQJNNVVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(11-7-5-4-6-8-11)13(16)14(2)9-12(15)17-3/h4-8,10H,9H2,1-3H3.
What are the key properties of methyl 2-[methyl(2-phenylpropanoyl)amino]acetate?
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-phenylpropanoyl)amino]acetate is sourced from PubChem (CID 104916610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).