ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate

C12H20F3NO3 — CID 66274848

IUPACethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
SMILESCCOC(=O)C(CCOC(C)C(F)(F)F)NC1CC1
InChIInChI=1S/C12H20F3NO3/c1-3-18-11(17)10(16-9-4-5-9)6-7-19-8(2)12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeySTWKMVRLBXATPM-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate

ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate (PubChem CID 66274848) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
PubChem CID66274848
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
SMILESCCOC(=O)C(CCOC(C)C(F)(F)F)NC1CC1
InChIInChI=1S/C12H20F3NO3/c1-3-18-11(17)10(16-9-4-5-9)6-7-19-8(2)12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeySTWKMVRLBXATPM-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55144526
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
diethyl 2-[(4,4-difluorocyclohexyl)amino]hexanedioate
CID 178021188
ethyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanoate
CID 115561433
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 63041148

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate (CID 66274848) is ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate is CCOC(=O)C(CCOC(C)C(F)(F)F)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
The InChIKey is STWKMVRLBXATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-3-18-11(17)10(16-9-4-5-9)6-7-19-8(2)12(13,14)15/h8-10,16H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate has a molecular weight of 283.29 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate is sourced from PubChem (CID 66274848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).