methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate

C15H21NO2 — CID 64566456

IUPACmethyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(C)CC1CC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-16(10-12-8-9-12)11-14(15(17)18-2)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyDCPDZJZVXOSJLS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds6

About methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate

methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate (PubChem CID 64566456) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
PubChem CID64566456
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(C)CC1CC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-16(10-12-8-9-12)11-14(15(17)18-2)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyDCPDZJZVXOSJLS-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 64567315
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
CID 79652279
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-phenylpropanethioamide
CID 64536727
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64567514
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
CID 64565043

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate (CID 64566456) is methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate is COC(=O)C(CN(C)CC1CC1)c1ccccc1.
What is the InChIKey of methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate?
The InChIKey is DCPDZJZVXOSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(10-12-8-9-12)11-14(15(17)18-2)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate?
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate has a molecular weight of 247.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 64566456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).