methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate

C13H27NO4 — CID 103489984

IUPACmethyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOC(C)COCC)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-5-8-14-12(13(15)16-4)7-9-18-11(3)10-17-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyDNYIRQPXLSEONH-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.36
Rot. Bonds11

About methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate

methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate (PubChem CID 103489984) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
PubChem CID103489984
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Namemethyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOC(C)COCC)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-5-8-14-12(13(15)16-4)7-9-18-11(3)10-17-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyDNYIRQPXLSEONH-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
CID 103489985
methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
CID 55144533
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
CID 103489799
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
methyl 2-(propylamino)octanoate
CID 60795997
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818
methyl 2-[2-(2-methylpropoxy)ethylamino]hexanoate
CID 103267598
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl 7-amino-6-(methylamino)-7-oxo-2-(propylamino)heptanoate
CID 66222372

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate (CID 103489984) is methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate is CCCNC(CCOC(C)COCC)C(=O)OC.
What is the InChIKey of methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate?
The InChIKey is DNYIRQPXLSEONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-8-14-12(13(15)16-4)7-9-18-11(3)10-17-6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate?
methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate has a molecular weight of 261.36 g/mol, XLogP of 1.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate is sourced from PubChem (CID 103489984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).