(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C15H18N2O4 — CID 119067281

IUPAC(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@@H]3C(C(=O)O)[C@@H]3C2)c(=O)n(C)c1C
InChIInChI=1S/C15H18N2O4/c1-7-4-9(13(18)16(3)8(7)2)14(19)17-5-10-11(6-17)12(10)15(20)21/h4,10-12H,5-6H2,1-3H3,(H,20,21)/t10-,11+,12?
InChIKeyUAJYRYWKVFQOJT-FOSCPWQOSA-N
MW290.32 g/mol
LogP0.40
Rot. Bonds2

About (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 119067281) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID119067281
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@@H]3C(C(=O)O)[C@@H]3C2)c(=O)n(C)c1C
InChIInChI=1S/C15H18N2O4/c1-7-4-9(13(18)16(3)8(7)2)14(19)17-5-10-11(6-17)12(10)15(20)21/h4,10-12H,5-6H2,1-3H3,(H,20,21)/t10-,11+,12?
InChIKeyUAJYRYWKVFQOJT-FOSCPWQOSA-N
XLogP0.40
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

4-[[1-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70733490
1,5,6-trimethyl-3-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyridin-2-one
CID 70757362
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 95552362
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 56872412
3-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 95551687
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
CID 154899380
(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166262349
3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 126453365
1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155502095
3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 142742172
(1S,5R)-3-(8-acetyl-3,6-dimethyl-4-oxoquinazolin-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 170170391
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56867986

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 119067281) is (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is Cc1cc(C(=O)N2C[C@@H]3C(C(=O)O)[C@@H]3C2)c(=O)n(C)c1C.
What is the InChIKey of (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is UAJYRYWKVFQOJT-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-7-4-9(13(18)16(3)8(7)2)14(19)17-5-10-11(6-17)12(10)15(20)21/h4,10-12H,5-6H2,1-3H3,(H,20,21)/t10-,11+,12?.
What are the key properties of (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 119067281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).