1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

C12H20N2O4 — CID 114425542

IUPAC1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(O)C2)C(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8-2-5-14(10(6-8)11(16)17)12(18)13-4-3-9(15)7-13/h8-10,15H,2-7H2,1H3,(H,16,17)
InChIKeyYJNIPEDAQVWPLJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.36
Rot. Bonds1

About 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425542) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425542
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(O)C2)C(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8-2-5-14(10(6-8)11(16)17)12(18)13-4-3-9(15)7-13/h8-10,15H,2-7H2,1H3,(H,16,17)
InChIKeyYJNIPEDAQVWPLJ-UHFFFAOYSA-N
XLogP0.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425408
4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
CID 106315704
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114679618

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 114425542) is 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)N2CCC(O)C2)C(C(=O)O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is YJNIPEDAQVWPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-2-5-14(10(6-8)11(16)17)12(18)13-4-3-9(15)7-13/h8-10,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).