(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

C12H20N2O3 — CID 81126014

IUPAC(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-9-4-2-7-14(9)12(17)13-6-3-5-10(8-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyMDKREGRCSFJBNX-AXDSSHIGSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds1

About (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81126014) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID81126014
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-9-4-2-7-14(9)12(17)13-6-3-5-10(8-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyMDKREGRCSFJBNX-AXDSSHIGSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
CID 102885151
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (CID 81126014) is (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is CC1CCCN1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MDKREGRCSFJBNX-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-4-2-7-14(9)12(17)13-6-3-5-10(8-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).