methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate

C14H25NO4 — CID 63921206

IUPACmethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
SMILESCCCNC(COC1CCOC1)(C(=O)OC)C1CC1
InChIInChI=1S/C14H25NO4/c1-3-7-15-14(11-4-5-11,13(16)17-2)10-19-12-6-8-18-9-12/h11-12,15H,3-10H2,1-2H3
InChIKeyWTAXOIVEDUHESW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.11
Rot. Bonds8

About methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate

methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate (PubChem CID 63921206) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
PubChem CID63921206
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
SMILESCCCNC(COC1CCOC1)(C(=O)OC)C1CC1
InChIInChI=1S/C14H25NO4/c1-3-7-15-14(11-4-5-11,13(16)17-2)10-19-12-6-8-18-9-12/h11-12,15H,3-10H2,1-2H3
InChIKeyWTAXOIVEDUHESW-UHFFFAOYSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
CID 63921207
methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
CID 63920996
ethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propan-2-ylamino)propanoate
CID 63921391
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol
CID 64809739
2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
CID 63920746
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
2-cyclopropyl-2-(ethylamino)-3-(oxan-4-yloxy)propanamide
CID 63920320
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745588
2-methyl-1-(oxolan-3-yloxy)-3-(propylamino)propan-2-ol
CID 66335508
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
CID 63920321

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate (CID 63921206) is methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate is CCCNC(COC1CCOC1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate?
The InChIKey is WTAXOIVEDUHESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-7-15-14(11-4-5-11,13(16)17-2)10-19-12-6-8-18-9-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate?
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate has a molecular weight of 271.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate is sourced from PubChem (CID 63921206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).