(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

C17H20N2O3 — CID 166262349

IUPAC(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
SMILESCc1cc(C2CC2)ncc1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)O
InChIInChI=1S/C17H20N2O3/c1-9-6-14(10-2-3-10)18-7-12(9)16(20)19-5-4-11-13(8-19)15(11)17(21)22/h6-7,10-11,13,15H,2-5,8H2,1H3,(H,21,22)/t11-,13+,15-/m0/s1
InChIKeyXWGHKTSFVUFUGH-LNSITVRQSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds3

About (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid (PubChem CID 166262349) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
PubChem CID166262349
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
SMILESCc1cc(C2CC2)ncc1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)O
InChIInChI=1S/C17H20N2O3/c1-9-6-14(10-2-3-10)18-7-12(9)16(20)19-5-4-11-13(8-19)15(11)17(21)22/h6-7,10-11,13,15H,2-5,8H2,1H3,(H,21,22)/t11-,13+,15-/m0/s1
InChIKeyXWGHKTSFVUFUGH-LNSITVRQSA-N
XLogP2.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
CID 172915603
(1S,6R,7R)-3-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254770
(1S,6R,7R)-3-(2-cyclobutyloxypyridine-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 167883339
(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 119067281
3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 166520449
(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81242747
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 56878787
[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 46983344
3-(3,5-dichlorophenyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 146382299
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 118789382

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
The IUPAC name of (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid (CID 166262349) is (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid.
What is the SMILES notation for (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
The canonical SMILES for (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid is Cc1cc(C2CC2)ncc1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)O.
What is the InChIKey of (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
The InChIKey is XWGHKTSFVUFUGH-LNSITVRQSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-9-6-14(10-2-3-10)18-7-12(9)16(20)19-5-4-11-13(8-19)15(11)17(21)22/h6-7,10-11,13,15H,2-5,8H2,1H3,(H,21,22)/t11-,13+,15-/m0/s1.
What are the key properties of (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
(1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S)-3-(6-cyclopropyl-4-methylpyridine-3-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid is sourced from PubChem (CID 166262349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).