2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid

C12H20N2O4 — CID 79615736

IUPAC2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C12H20N2O4/c15-9-6-10(13-7-9)12(18)14-3-1-8(2-4-14)5-11(16)17/h8-10,13,15H,1-7H2,(H,16,17)
InChIKeyMAHMCYDINZPWIA-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.58
Rot. Bonds3

About 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid

2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615736) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615736
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C12H20N2O4/c15-9-6-10(13-7-9)12(18)14-3-1-8(2-4-14)5-11(16)17/h8-10,13,15H,1-7H2,(H,16,17)
InChIKeyMAHMCYDINZPWIA-UHFFFAOYSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 114797528
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 124889673
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125150871
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid (CID 79615736) is 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is MAHMCYDINZPWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-9-6-10(13-7-9)12(18)14-3-1-8(2-4-14)5-11(16)17/h8-10,13,15H,1-7H2,(H,16,17).
What are the key properties of 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).