(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide

C15H21F3N2O3 — CID 171675092

IUPAC(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(O)(C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CC1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O3/c1-14(23,15(16,17)18)13(22)20-11-8-3-2-7(6-8)10(11)12(21)19-9-4-5-9/h7-11,23H,2-6H2,1H3,(H,19,21)(H,20,22)/t7-,8+,10+,11-,14?/m0/s1
InChIKeyUQULVTOPSXSAED-CIAVSIPGSA-N
MW334.34 g/mol
LogP1.11
Rot. Bonds4

About (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 171675092) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID171675092
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(O)(C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CC1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O3/c1-14(23,15(16,17)18)13(22)20-11-8-3-2-7(6-8)10(11)12(21)19-9-4-5-9/h7-11,23H,2-6H2,1H3,(H,19,21)(H,20,22)/t7-,8+,10+,11-,14?/m0/s1
InChIKeyUQULVTOPSXSAED-CIAVSIPGSA-N
XLogP1.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 175889028
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377095
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377096
3-amino-N-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377686
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378030
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378033
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378216
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378223
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378802

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide (CID 171675092) is (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide is CC(O)(C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CC1)C(F)(F)F.
What is the InChIKey of (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UQULVTOPSXSAED-CIAVSIPGSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-14(23,15(16,17)18)13(22)20-11-8-3-2-7(6-8)10(11)12(21)19-9-4-5-9/h7-11,23H,2-6H2,1H3,(H,19,21)(H,20,22)/t7-,8+,10+,11-,14?/m0/s1.
What are the key properties of (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 171675092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).