methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate

C17H25NO3 — CID 63918613

IUPACmethyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
SMILESCNC(COc1ccc(C(C)C)cc1)(C(=O)OC)C1CC1
InChIInChI=1S/C17H25NO3/c1-12(2)13-5-9-15(10-6-13)21-11-17(18-3,14-7-8-14)16(19)20-4/h5-6,9-10,12,14,18H,7-8,11H2,1-4H3
InChIKeyLJDUEKLJMQPTCS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds7

About methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate

methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate (PubChem CID 63918613) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
PubChem CID63918613
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
SMILESCNC(COc1ccc(C(C)C)cc1)(C(=O)OC)C1CC1
InChIInChI=1S/C17H25NO3/c1-12(2)13-5-9-15(10-6-13)21-11-17(18-3,14-7-8-14)16(19)20-4/h5-6,9-10,12,14,18H,7-8,11H2,1-4H3
InChIKeyLJDUEKLJMQPTCS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
3-(4-butan-2-ylphenoxy)-2-cyclopropyl-2-(methylamino)propanoic acid
CID 107667914
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
CID 63920001
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
2-cyclopropyl-2-(methylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 63920114
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate (CID 63918613) is methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate is CNC(COc1ccc(C(C)C)cc1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate?
The InChIKey is LJDUEKLJMQPTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)13-5-9-15(10-6-13)21-11-17(18-3,14-7-8-14)16(19)20-4/h5-6,9-10,12,14,18H,7-8,11H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate?
methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate has a molecular weight of 291.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate is sourced from PubChem (CID 63918613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).