methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate

C15H23NO2 — CID 79623966

IUPACmethyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
SMILESCCC(NCC(C)(C)C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-13(12-9-7-6-8-10-12)16-11-15(2,3)14(17)18-4/h6-10,13,16H,5,11H2,1-4H3
InChIKeyMNJXMNSJDYIKSR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds6

About methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate

methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate (PubChem CID 79623966) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
PubChem CID79623966
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
SMILESCCC(NCC(C)(C)C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-13(12-9-7-6-8-10-12)16-11-15(2,3)14(17)18-4/h6-10,13,16H,5,11H2,1-4H3
InChIKeyMNJXMNSJDYIKSR-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
tert-butyl 3-(1-phenylpropylamino)propanoate
CID 103785968
2,2-dimethyl-3-(1-phenylhexylamino)propanamide
CID 103917134
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
methyl 2,2,3-trimethyl-4-phenylhexanoate
CID 155280423
methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate (CID 79623966) is methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate is CCC(NCC(C)(C)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate?
The InChIKey is MNJXMNSJDYIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13(12-9-7-6-8-10-12)16-11-15(2,3)14(17)18-4/h6-10,13,16H,5,11H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate?
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate is sourced from PubChem (CID 79623966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).