cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid

C10H14F3NO3 — CID 120676611

IUPACcis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCC(F)(F)F)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)4-3-8(15)14-7-2-1-6(5-7)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)/t6-,7+/m0/s1
InChIKeySJQYYSYHUJGFAN-NKWVEPMBSA-N
MW253.22 g/mol
LogP1.70
Rot. Bonds4

About cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 120676611) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID120676611
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Namecis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCC(F)(F)F)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)4-3-8(15)14-7-2-1-6(5-7)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)/t6-,7+/m0/s1
InChIKeySJQYYSYHUJGFAN-NKWVEPMBSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid 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

cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322969
cis-(1S,3R)-3-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675651
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid (CID 120676611) is cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid is O=C(CCC(F)(F)F)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SJQYYSYHUJGFAN-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)4-3-8(15)14-7-2-1-6(5-7)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)/t6-,7+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).