methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate

C16H31NO4 — CID 115942540

IUPACmethyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
SMILESCCCNC(COCCOC(C)(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H31NO4/c1-6-9-17-16(13-7-8-13,14(18)19-5)12-20-10-11-21-15(2,3)4/h13,17H,6-12H2,1-5H3
InChIKeyXVURWWAKOZBEME-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.14
Rot. Bonds10

About methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate

methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate (PubChem CID 115942540) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
PubChem CID115942540
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Namemethyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
SMILESCCCNC(COCCOC(C)(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H31NO4/c1-6-9-17-16(13-7-8-13,14(18)19-5)12-20-10-11-21-15(2,3)4/h13,17H,6-12H2,1-5H3
InChIKeyXVURWWAKOZBEME-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-cyclopropyl-2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 115942541
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
CID 63920996
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propoxyethoxy)propanoate
CID 63920027
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)propanoic acid
CID 115942578
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoic acid
CID 112589185
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
CID 63919160
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066
methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate
CID 64918055

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate (CID 115942540) is methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate is CCCNC(COCCOC(C)(C)C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate?
The InChIKey is XVURWWAKOZBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-6-9-17-16(13-7-8-13,14(18)19-5)12-20-10-11-21-15(2,3)4/h13,17H,6-12H2,1-5H3.
What are the key properties of methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate?
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate has a molecular weight of 301.43 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate is sourced from PubChem (CID 115942540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).