(1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide

C13H18F2N2O2 — CID 174251393

IUPAC(1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NCC(=O)N1C[C@H]2CCC[C@H]2C1)[C@@H]1CC1(F)F
InChIInChI=1S/C13H18F2N2O2/c14-13(15)4-10(13)12(19)16-5-11(18)17-6-8-2-1-3-9(8)7-17/h8-10H,1-7H2,(H,16,19)/t8-,9+,10-/m0/s1
InChIKeySVIBOKATMZFDGY-AEJSXWLSSA-N
MW272.29 g/mol
LogP1.02
Rot. Bonds3

About (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide

(1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 174251393) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID174251393
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name(1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NCC(=O)N1C[C@H]2CCC[C@H]2C1)[C@@H]1CC1(F)F
InChIInChI=1S/C13H18F2N2O2/c14-13(15)4-10(13)12(19)16-5-11(18)17-6-8-2-1-3-9(8)7-17/h8-10H,1-7H2,(H,16,19)/t8-,9+,10-/m0/s1
InChIKeySVIBOKATMZFDGY-AEJSXWLSSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide 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 (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide (CID 174251393) is (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide is O=C(NCC(=O)N1C[C@H]2CCC[C@H]2C1)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is SVIBOKATMZFDGY-AEJSXWLSSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-13(15)4-10(13)12(19)16-5-11(18)17-6-8-2-1-3-9(8)7-17/h8-10H,1-7H2,(H,16,19)/t8-,9+,10-/m0/s1.
What are the key properties of (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide?
(1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 174251393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).