[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate

C16H28N2O7S — CID 55506251

IUPAC[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H28N2O7S/c1-11(2)9-13(16(21)24-3)17-14(19)10-25-15(20)12-5-7-18(8-6-12)26(4,22)23/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyMAJCNQKVRGCTQA-UHFFFAOYSA-N
MW392.47 g/mol
LogP-0.09
Rot. Bonds8

About [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate

[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate (PubChem CID 55506251) has the molecular formula C16H28N2O7S and a molecular weight of 392.47 g/mol. Its IUPAC name is [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
PubChem CID55506251
Molecular FormulaC16H28N2O7S
Molecular Weight392.47 g/mol
Exact Mass392.16
IUPAC Name[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H28N2O7S/c1-11(2)9-13(16(21)24-3)17-14(19)10-25-15(20)12-5-7-18(8-6-12)26(4,22)23/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyMAJCNQKVRGCTQA-UHFFFAOYSA-N
XLogP-0.09
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 46607461
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 55401757
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
CID 16607005
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 139051832
methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 115301996
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 112603567
methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate
CID 9404670
methyl (2S)-4-methyl-2-(pent-4-ynoylamino)pentanoate
CID 101422018
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
CID 16620037
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 50944837

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate (CID 55506251) is [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate is COC(=O)C(CC(C)C)NC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate?
The InChIKey is MAJCNQKVRGCTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O7S/c1-11(2)9-13(16(21)24-3)17-14(19)10-25-15(20)12-5-7-18(8-6-12)26(4,22)23/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate?
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate has a molecular weight of 392.47 g/mol, XLogP of -0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55506251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).