3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid

C11H20N2O4 — CID 102962940

IUPAC3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1CCCN(C(=O)NC(C)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(6-10(14)15)12-11(16)13-5-3-4-9(7-13)17-2/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFHFOJYDIEICTHZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds4

About 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid

3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 102962940) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
PubChem CID102962940
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1CCCN(C(=O)NC(C)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(6-10(14)15)12-11(16)13-5-3-4-9(7-13)17-2/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFHFOJYDIEICTHZ-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 102963041
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)butanoic acid
CID 55165606
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63605097
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid (CID 102962940) is 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid is COC1CCCN(C(=O)NC(C)CC(=O)O)C1.
What is the InChIKey of 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is FHFOJYDIEICTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(6-10(14)15)12-11(16)13-5-3-4-9(7-13)17-2/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid?
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102962940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).