(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C14H24FN3O — CID 138016529

IUPAC(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCC1CCC(F)CC1)C2
InChIInChI=1S/C14H24FN3O/c15-12-3-1-10(2-4-12)7-17-13(19)18-8-11-5-6-14(11,16)9-18/h10-12H,1-9,16H2,(H,17,19)/t10?,11-,12?,14-/m0/s1
InChIKeyNSVGYYWOWXIZHA-KMMRNIFNSA-N
MW269.36 g/mol
LogP1.65
Rot. Bonds2

About (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016529) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016529
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCC1CCC(F)CC1)C2
InChIInChI=1S/C14H24FN3O/c15-12-3-1-10(2-4-12)7-17-13(19)18-8-11-5-6-14(11,16)9-18/h10-12H,1-9,16H2,(H,17,19)/t10?,11-,12?,14-/m0/s1
InChIKeyNSVGYYWOWXIZHA-KMMRNIFNSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,4-difluorocyclohexyl)methyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 122139964
(4S)-N-[(4,4-difluorocyclohexyl)methyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 124295709
(4R)-N-[(4,4-difluorocyclohexyl)methyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 124295710
(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-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016557
(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016562
(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016565
(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 154807408
1-(5-Azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea
CID 167848185
1-({2-Azabicyclo[3.2.0]heptan-1-yl}methyl)-3-(3-methylbutan-2-yl)urea
CID 137949301

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016529) is (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is N[C@]12CC[C@H]1CN(C(=O)NCC1CCC(F)CC1)C2.
What is the InChIKey of (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is NSVGYYWOWXIZHA-KMMRNIFNSA-N. The full InChI is InChI=1S/C14H24FN3O/c15-12-3-1-10(2-4-12)7-17-13(19)18-8-11-5-6-14(11,16)9-18/h10-12H,1-9,16H2,(H,17,19)/t10?,11-,12?,14-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 269.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).