methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate

C15H22N2O3 — CID 106275985

IUPACmethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,14(16)19)10-17-9-12(13(18)20-3)11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,16,19)
InChIKeyKOAUNRCUHIENNY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.04
Rot. Bonds7

About methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate

methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate (PubChem CID 106275985) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
PubChem CID106275985
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,14(16)19)10-17-9-12(13(18)20-3)11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,16,19)
InChIKeyKOAUNRCUHIENNY-UHFFFAOYSA-N
XLogP1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
CID 106276941
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
methyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-phenylpropanoate
CID 106256464
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate (CID 106275985) is methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate is COC(=O)C(CNCC(C)(C)C(N)=O)c1ccccc1.
What is the InChIKey of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate?
The InChIKey is KOAUNRCUHIENNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,14(16)19)10-17-9-12(13(18)20-3)11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,16,19).
What are the key properties of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate?
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate has a molecular weight of 278.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 106275985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).