3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid

C11H20N2O4 — CID 61199548

IUPAC3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCOC1CCN(C(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-12(6-5-10(14)15)11(16)13-7-3-9(17-2)4-8-13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyVGANLRRDUGIMDT-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.62
Rot. Bonds4

About 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid

3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 61199548) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID61199548
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCOC1CCN(C(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-12(6-5-10(14)15)11(16)13-7-3-9(17-2)4-8-13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyVGANLRRDUGIMDT-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877473
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876978
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62820761
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753
4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 103535057
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid (CID 61199548) is 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid is COC1CCN(C(=O)N(C)CCC(=O)O)CC1.
What is the InChIKey of 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is VGANLRRDUGIMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12(6-5-10(14)15)11(16)13-7-3-9(17-2)4-8-13/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 61199548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).