4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

C12H18N2O6 — CID 115534957

IUPAC4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C1CCCN(C(=O)NC(=O)CCC(=O)O)C1
InChIInChI=1S/C12H18N2O6/c1-20-11(18)8-3-2-6-14(7-8)12(19)13-9(15)4-5-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19)
InChIKeyLDOXOJCQRDAXQR-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.03
Rot. Bonds4

About 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 115534957) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID115534957
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C1CCCN(C(=O)NC(=O)CCC(=O)O)C1
InChIInChI=1S/C12H18N2O6/c1-20-11(18)8-3-2-6-14(7-8)12(19)13-9(15)4-5-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19)
InChIKeyLDOXOJCQRDAXQR-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 103535057
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
CID 113498394
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534953
5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 106587526
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
3-hydroxy-4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 115535255
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 115534957) is 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is COC(=O)C1CCCN(C(=O)NC(=O)CCC(=O)O)C1.
What is the InChIKey of 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is LDOXOJCQRDAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-20-11(18)8-3-2-6-14(7-8)12(19)13-9(15)4-5-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19).
What are the key properties of 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 286.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115534957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).