methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate

C13H25NO3 — CID 102984337

IUPACmethyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO3/c1-5-6-10(2)17-9-13(14-3,11-7-8-11)12(15)16-4/h10-11,14H,5-9H2,1-4H3
InChIKeyLTNBHWXHHMICIO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds8

About methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate

methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate (PubChem CID 102984337) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
PubChem CID102984337
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO3/c1-5-6-10(2)17-9-13(14-3,11-7-8-11)12(15)16-4/h10-11,14H,5-9H2,1-4H3
InChIKeyLTNBHWXHHMICIO-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
CID 102980035
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
methyl 3-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63917639
methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
CID 63918613
methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63911706
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate (CID 102984337) is methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate is CCCC(C)OCC(NC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate?
The InChIKey is LTNBHWXHHMICIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-6-10(2)17-9-13(14-3,11-7-8-11)12(15)16-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate?
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 8 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-pentan-2-yloxypropanoate is sourced from PubChem (CID 102984337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).