(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide

C10H18F2N4O — CID 154807408

IUPAC(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C10H18F2N4O/c11-10(12,4-13)5-15-8(17)16-3-7-1-2-9(7,14)6-16/h7H,1-6,13-14H2,(H,15,17)/t7-,9-/m0/s1
InChIKeyBTCHPDQMLNQFMU-CBAPKCEASA-N
MW248.28 g/mol
LogP-0.29
Rot. Bonds3

About (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 154807408) has the molecular formula C10H18F2N4O and a molecular weight of 248.28 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID154807408
Molecular FormulaC10H18F2N4O
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C10H18F2N4O/c11-10(12,4-13)5-15-8(17)16-3-7-1-2-9(7,14)6-16/h7H,1-6,13-14H2,(H,15,17)/t7-,9-/m0/s1
InChIKeyBTCHPDQMLNQFMU-CBAPKCEASA-N
XLogP-0.29
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-diazepane-1-carboxamide
CID 47086495
4-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-diazepane-1-carboxamide
CID 52502653
4-tert-butyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-diazepane-1-carboxamide
CID 52502655
1-[[1-(Dimethylamino)cyclobutyl]methyl]-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 91661851
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 99856968
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 99856969
8-amino-N-(3-amino-2,2-difluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 137936369
(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016472
(1R,5S)-1-amino-N-[(4,4-difluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016483
(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016520
(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016529
(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016557

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 154807408) is (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide is NCC(F)(F)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1.
What is the InChIKey of (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is BTCHPDQMLNQFMU-CBAPKCEASA-N. The full InChI is InChI=1S/C10H18F2N4O/c11-10(12,4-13)5-15-8(17)16-3-7-1-2-9(7,14)6-16/h7H,1-6,13-14H2,(H,15,17)/t7-,9-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 154807408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).