(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid

C12H20N2O3 — CID 81120931

IUPAC(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCNC1
InChIInChI=1S/C12H20N2O3/c1-12(4-5-13-8-12)11(17)14-6-2-3-9(7-14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)/t9-,12?/m1/s1
InChIKeyCZCRPNCKZVULIL-PKEIRNPWSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds2

About (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81120931) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81120931
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCNC1
InChIInChI=1S/C12H20N2O3/c1-12(4-5-13-8-12)11(17)14-6-2-3-9(7-14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)/t9-,12?/m1/s1
InChIKeyCZCRPNCKZVULIL-PKEIRNPWSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 81200158
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid (CID 81120931) is (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCNC1.
What is the InChIKey of (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CZCRPNCKZVULIL-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(4-5-13-8-12)11(17)14-6-2-3-9(7-14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)/t9-,12?/m1/s1.
What are the key properties of (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).