2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid

C11H20N2O2 — CID 117258250

IUPAC2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(C2CCNC2)CCN1
InChIInChI=1S/C11H20N2O2/c1-11(10(14)15)6-8(3-5-13-11)9-2-4-12-7-9/h8-9,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyIFWQBNYRVZMPGP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.44
Rot. Bonds2

About 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid

2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid (PubChem CID 117258250) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid
PubChem CID117258250
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(C2CCNC2)CCN1
InChIInChI=1S/C11H20N2O2/c1-11(10(14)15)6-8(3-5-13-11)9-2-4-12-7-9/h8-9,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyIFWQBNYRVZMPGP-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-pyrrolidin-3-ylpyrrolidin-2-yl)methanol
CID 117270353
(2S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 57368515
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
2-methyl-4-phenylpiperidine-2-carboxylic acid
CID 117258341
(2R,4S)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 125424432
(2S,4S)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 125424433
(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 53487321
(4aR,8aR)-6,6-dimethoxy-2,3,4,4a,5,7,8,8a-octahydro-1H-isoquinoline
CID 66554166
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
CID 117258285
4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 117269973
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid (CID 117258250) is 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid is CC1(C(=O)O)CC(C2CCNC2)CCN1.
What is the InChIKey of 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid?
The InChIKey is IFWQBNYRVZMPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(10(14)15)6-8(3-5-13-11)9-2-4-12-7-9/h8-9,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid?
2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-3-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 117258250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).