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

C12H20F3NO3 — CID 66275078

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
SMILESCOC(=O)C(C)(CCOC(C)C(F)(F)F)NC1CC1
InChIInChI=1S/C12H20F3NO3/c1-8(12(13,14)15)19-7-6-11(2,10(17)18-3)16-9-4-5-9/h8-9,16H,4-7H2,1-3H3
InChIKeyKTOIXIAKWSUDJQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds7

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

methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate (PubChem CID 66275078) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
PubChem CID66275078
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
SMILESCOC(=O)C(C)(CCOC(C)C(F)(F)F)NC1CC1
InChIInChI=1S/C12H20F3NO3/c1-8(12(13,14)15)19-7-6-11(2,10(17)18-3)16-9-4-5-9/h8-9,16H,4-7H2,1-3H3
InChIKeyKTOIXIAKWSUDJQ-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate 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

2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide
CID 102722876
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66276576
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate (CID 66275078) is methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate is COC(=O)C(C)(CCOC(C)C(F)(F)F)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
The InChIKey is KTOIXIAKWSUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(12(13,14)15)19-7-6-11(2,10(17)18-3)16-9-4-5-9/h8-9,16H,4-7H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate has a molecular weight of 283.29 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate is sourced from PubChem (CID 66275078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).