methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate

C10H18F3NO3 — CID 66277657

IUPACmethyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
SMILESCCCNC(COC(C)C(F)(F)F)C(=O)OC
InChIInChI=1S/C10H18F3NO3/c1-4-5-14-8(9(15)16-3)6-17-7(2)10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyDRTDUXFWSQBDMM-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.50
Rot. Bonds7

About methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate

methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate (PubChem CID 66277657) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
PubChem CID66277657
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
SMILESCCCNC(COC(C)C(F)(F)F)C(=O)OC
InChIInChI=1S/C10H18F3NO3/c1-4-5-14-8(9(15)16-3)6-17-7(2)10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyDRTDUXFWSQBDMM-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 66274629
methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722814
methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984
methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
CID 55144533
methyl 2-(propylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103289999
methyl 2-(propylamino)octanoate
CID 60795997
2-(ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277020
ethyl 2-(propylamino)butanoate
CID 60795885
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate?
The IUPAC name of methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate (CID 66277657) is methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate.
What is the SMILES notation for methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate?
The canonical SMILES for methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate is CCCNC(COC(C)C(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate?
The InChIKey is DRTDUXFWSQBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-4-5-14-8(9(15)16-3)6-17-7(2)10(11,12)13/h7-8,14H,4-6H2,1-3H3.
What are the key properties of methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate?
methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate has a molecular weight of 257.25 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate is sourced from PubChem (CID 66277657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).