2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid

C13H22N2O5 — CID 62478946

IUPAC2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCN(C(C)=O)CC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-9(16)15-6-3-10(4-7-15)12(17)14-11(13(18)19)5-8-20-2/h10-11H,3-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyBDDNHRWUBYNIMH-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.15
Rot. Bonds6

About 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid

2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 62478946) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID62478946
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCN(C(C)=O)CC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-9(16)15-6-3-10(4-7-15)12(17)14-11(13(18)19)5-8-20-2/h10-11H,3-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyBDDNHRWUBYNIMH-UHFFFAOYSA-N
XLogP-0.15
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212494
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
2-[(1-acetylpiperidine-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108792200
2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702923
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703197
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid (CID 62478946) is 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)C1CCN(C(C)=O)CC1)C(=O)O.
What is the InChIKey of 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is BDDNHRWUBYNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9(16)15-6-3-10(4-7-15)12(17)14-11(13(18)19)5-8-20-2/h10-11H,3-8H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).