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

C17H25NO2 — CID 64567315

IUPACmethyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(CC1CC1)C(C)C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(2)18(11-14-9-10-14)12-16(17(19)20-3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyUUBHPZUCUANRTC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.06
Rot. Bonds7

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

methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate (PubChem CID 64567315) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate
PubChem CID64567315
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(CC1CC1)C(C)C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(2)18(11-14-9-10-14)12-16(17(19)20-3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyUUBHPZUCUANRTC-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
CID 64565043
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
2-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylacetohydrazide
CID 55214441
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate (CID 64567315) is methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate is COC(=O)C(CN(CC1CC1)C(C)C)c1ccccc1.
What is the InChIKey of methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate?
The InChIKey is UUBHPZUCUANRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)18(11-14-9-10-14)12-16(17(19)20-3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3.
What are the key properties of methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate?
methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate is sourced from PubChem (CID 64567315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).