methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate

C16H26N2O2 — CID 79652279

IUPACmethyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(C)CC(C)(C)CN)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2,11-17)12-18(3)10-14(15(19)20-4)13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3
InChIKeySCRJAMPUSNESKH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds7

About methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate

methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate (PubChem CID 79652279) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
PubChem CID79652279
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namemethyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(C)CC(C)(C)CN)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2,11-17)12-18(3)10-14(15(19)20-4)13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3
InChIKeySCRJAMPUSNESKH-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl (2S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpropanoate
CID 134924895
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate (CID 79652279) is methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate is COC(=O)C(CN(C)CC(C)(C)CN)c1ccccc1.
What is the InChIKey of methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate?
The InChIKey is SCRJAMPUSNESKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,11-17)12-18(3)10-14(15(19)20-4)13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3.
What are the key properties of methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate?
methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate has a molecular weight of 278.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate is sourced from PubChem (CID 79652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).