4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

C12H18N2O6 — CID 115534953

IUPAC4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C1CCCCN1C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C12H18N2O6/c1-20-11(18)8-4-2-3-7-14(8)12(19)13-9(15)5-6-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19)
InChIKeyWNVRVTHZSFEOKR-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.11
Rot. Bonds4

About 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 115534953) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID115534953
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C1CCCCN1C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C12H18N2O6/c1-20-11(18)8-4-2-3-7-14(8)12(19)13-9(15)5-6-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19)
InChIKeyWNVRVTHZSFEOKR-UHFFFAOYSA-N
XLogP0.11
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535126
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 115534953) is 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is COC(=O)C1CCCCN1C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is WNVRVTHZSFEOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-20-11(18)8-4-2-3-7-14(8)12(19)13-9(15)5-6-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19).
What are the key properties of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 286.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115534953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).