(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid

C10H14F3NO3 — CID 151284405

IUPAC(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid
SMILESCC(C)([C@H](NC(=O)C1CC1)C(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-9(2,10(11,12)13)6(8(16)17)14-7(15)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyNZBQEGCIHLVTJJ-ZCFIWIBFSA-N
MW253.22 g/mol
LogP1.55
Rot. Bonds4

About (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid

(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid (PubChem CID 151284405) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid
PubChem CID151284405
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid
SMILESCC(C)([C@H](NC(=O)C1CC1)C(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-9(2,10(11,12)13)6(8(16)17)14-7(15)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyNZBQEGCIHLVTJJ-ZCFIWIBFSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid (CID 151284405) is (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid is CC(C)([C@H](NC(=O)C1CC1)C(=O)O)C(F)(F)F.
What is the InChIKey of (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid?
The InChIKey is NZBQEGCIHLVTJJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-9(2,10(11,12)13)6(8(16)17)14-7(15)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid?
(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid has a molecular weight of 253.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid is sourced from PubChem (CID 151284405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).