3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid

C14H24N2O4 — CID 103357315

IUPAC3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
SMILESCC1(O)CCN(C(=O)N2CCCCC2CCC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-14(20)7-9-15(10-14)13(19)16-8-3-2-4-11(16)5-6-12(17)18/h11,20H,2-10H2,1H3,(H,17,18)
InChIKeyNHNNAKHSSZDRCV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds3

About 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 103357315) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID103357315
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
SMILESCC1(O)CCN(C(=O)N2CCCCC2CCC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-14(20)7-9-15(10-14)13(19)16-8-3-2-4-11(16)5-6-12(17)18/h11,20H,2-10H2,1H3,(H,17,18)
InChIKeyNHNNAKHSSZDRCV-UHFFFAOYSA-N
XLogP1.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
CID 64597618
3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 79872070
3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 63129046
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659090
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
1-[2-(hydroxymethyl)azepane-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 116635552
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 103357125
3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 63142470

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid (CID 103357315) is 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid is CC1(O)CCN(C(=O)N2CCCCC2CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is NHNNAKHSSZDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(20)7-9-15(10-14)13(19)16-8-3-2-4-11(16)5-6-12(17)18/h11,20H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 103357315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).