3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid

C13H22N2O4 — CID 81115163

IUPAC3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(O)CCN(C(=O)N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(19)5-8-14(9-6-13)12(18)15(10-2-3-10)7-4-11(16)17/h10,19H,2-9H2,1H3,(H,16,17)
InChIKeyUEVFZNQROAXEEI-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.89
Rot. Bonds4

About 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid

3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 81115163) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID81115163
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(O)CCN(C(=O)N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(19)5-8-14(9-6-13)12(18)15(10-2-3-10)7-4-11(16)17/h10,19H,2-9H2,1H3,(H,16,17)
InChIKeyUEVFZNQROAXEEI-UHFFFAOYSA-N
XLogP0.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 81115163) is 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1(O)CCN(C(=O)N(CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is UEVFZNQROAXEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(19)5-8-14(9-6-13)12(18)15(10-2-3-10)7-4-11(16)17/h10,19H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81115163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).