methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate

C16H29NO4 — CID 63920996

IUPACmethyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
SMILESCCCNC(COCC1CCOCC1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H29NO4/c1-3-8-17-16(14-4-5-14,15(18)19-2)12-21-11-13-6-9-20-10-7-13/h13-14,17H,3-12H2,1-2H3
InChIKeyGSRUVPRHLPIEQU-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.75
Rot. Bonds9

About methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate

methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate (PubChem CID 63920996) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
PubChem CID63920996
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namemethyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
SMILESCCCNC(COCC1CCOCC1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H29NO4/c1-3-8-17-16(14-4-5-14,15(18)19-2)12-21-11-13-6-9-20-10-7-13/h13-14,17H,3-12H2,1-2H3
InChIKeyGSRUVPRHLPIEQU-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 63920997
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoic acid
CID 62385992
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 55066400
ethyl 2-cyclopropyl-2-(ethylamino)-3-(oxolan-3-ylmethoxy)propanoate
CID 63919336
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
CID 63906853
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
CID 63921207

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate (CID 63920996) is methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate is CCCNC(COCC1CCOCC1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate?
The InChIKey is GSRUVPRHLPIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-8-17-16(14-4-5-14,15(18)19-2)12-21-11-13-6-9-20-10-7-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate?
methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate has a molecular weight of 299.41 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate is sourced from PubChem (CID 63920996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).