methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate

C17H25NO3 — CID 66321617

IUPACmethyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
SMILESCNC(COCC1CCCC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-18-17(16(19)20-2,15-10-4-3-5-11-15)13-21-12-14-8-6-7-9-14/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3
InChIKeyHGZWWXNEIQEJOP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.48
Rot. Bonds7

About methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate

methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate (PubChem CID 66321617) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
PubChem CID66321617
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
SMILESCNC(COCC1CCCC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-18-17(16(19)20-2,15-10-4-3-5-11-15)13-21-12-14-8-6-7-9-14/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3
InChIKeyHGZWWXNEIQEJOP-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
CID 63557499
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 63632518
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208
methyl 2-(methylamino)-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoate
CID 79326571
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
CID 95304784
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
4-(cyclopentylmethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692999

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate (CID 66321617) is methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate is CNC(COCC1CCCC1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate?
The InChIKey is HGZWWXNEIQEJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18-17(16(19)20-2,15-10-4-3-5-11-15)13-21-12-14-8-6-7-9-14/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3.
What are the key properties of methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate?
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate is sourced from PubChem (CID 66321617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).