methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate

C16H26N2O3 — CID 82941864

IUPACmethyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
SMILESCOCCN(CC(N)(C(=O)OC)c1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O3/c1-13(2)18(10-11-20-3)12-16(17,15(19)21-4)14-8-6-5-7-9-14/h5-9,13H,10-12,17H2,1-4H3
InChIKeyPUTTVHVWBAXBIF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.37
Rot. Bonds8

About methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate

methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate (PubChem CID 82941864) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
PubChem CID82941864
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Namemethyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
SMILESCOCCN(CC(N)(C(=O)OC)c1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O3/c1-13(2)18(10-11-20-3)12-16(17,15(19)21-4)14-8-6-5-7-9-14/h5-9,13H,10-12,17H2,1-4H3
InChIKeyPUTTVHVWBAXBIF-UHFFFAOYSA-N
XLogP1.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
methyl 2-amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylbutanoate
CID 116694763
methyl 2-amino-4-(2-methylbutylsulfanyl)-2-phenylbutanoate
CID 107755976
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate (CID 82941864) is methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate is COCCN(CC(N)(C(=O)OC)c1ccccc1)C(C)C.
What is the InChIKey of methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate?
The InChIKey is PUTTVHVWBAXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)18(10-11-20-3)12-16(17,15(19)21-4)14-8-6-5-7-9-14/h5-9,13H,10-12,17H2,1-4H3.
What are the key properties of methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate?
methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate has a molecular weight of 294.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate is sourced from PubChem (CID 82941864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).