methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate

C15H27NO3 — CID 64744611

IUPACmethyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(COC1CCC(C)C(C)C1)NC1CC1
InChIInChI=1S/C15H27NO3/c1-10-4-7-13(8-11(10)2)19-9-14(15(17)18-3)16-12-5-6-12/h10-14,16H,4-9H2,1-3H3
InChIKeyAKMPOVIUAWZNLJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.12
Rot. Bonds6

About methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate

methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate (PubChem CID 64744611) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
PubChem CID64744611
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(COC1CCC(C)C(C)C1)NC1CC1
InChIInChI=1S/C15H27NO3/c1-10-4-7-13(8-11(10)2)19-9-14(15(17)18-3)16-12-5-6-12/h10-14,16H,4-9H2,1-3H3
InChIKeyAKMPOVIUAWZNLJ-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745584
methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82007078
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylbutanamide
CID 64744615
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
CID 63041162
methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 63041148
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate
CID 65442802
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945
methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
CID 62336177

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate (CID 64744611) is methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate is COC(=O)C(COC1CCC(C)C(C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate?
The InChIKey is AKMPOVIUAWZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10-4-7-13(8-11(10)2)19-9-14(15(17)18-3)16-12-5-6-12/h10-14,16H,4-9H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate?
methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate has a molecular weight of 269.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate is sourced from PubChem (CID 64744611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).