methyl 2-methyl-3-(2-phenylpropylamino)propanoate

C14H21NO2 — CID 104591422

IUPACmethyl 2-methyl-3-(2-phenylpropylamino)propanoate
SMILESCOC(=O)C(C)CNCC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(13-7-5-4-6-8-13)9-15-10-12(2)14(16)17-3/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyGZGBIPNSTBCCGL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-methyl-3-(2-phenylpropylamino)propanoate

methyl 2-methyl-3-(2-phenylpropylamino)propanoate (PubChem CID 104591422) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-methyl-3-(2-phenylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2-phenylpropylamino)propanoate
PubChem CID104591422
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-methyl-3-(2-phenylpropylamino)propanoate
SMILESCOC(=O)C(C)CNCC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(13-7-5-4-6-8-13)9-15-10-12(2)14(16)17-3/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyGZGBIPNSTBCCGL-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
1-phenylethyl 3-(ethylamino)-2-methylpropanoate
CID 62852098

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2-phenylpropylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-(2-phenylpropylamino)propanoate (CID 104591422) is methyl 2-methyl-3-(2-phenylpropylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(2-phenylpropylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-(2-phenylpropylamino)propanoate is COC(=O)C(C)CNCC(C)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3-(2-phenylpropylamino)propanoate?
The InChIKey is GZGBIPNSTBCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(13-7-5-4-6-8-13)9-15-10-12(2)14(16)17-3/h4-8,11-12,15H,9-10H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(2-phenylpropylamino)propanoate?
methyl 2-methyl-3-(2-phenylpropylamino)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2-phenylpropylamino)propanoate is sourced from PubChem (CID 104591422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).