1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C12H20N2O5 — CID 63124044

IUPAC1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-8(9(15)19-3)13-11(18)14-6-4-12(2,5-7-14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyABMUJLMGQUKQJV-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.44
Rot. Bonds3

About 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124044) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124044
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-8(9(15)19-3)13-11(18)14-6-4-12(2,5-7-14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyABMUJLMGQUKQJV-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 944219
(S)-3-Methyl-2-[(4-methyl-piperidine-1-carbonyl)-amino]-pentanoic acid
CID 16682089
(S)-3-Methyl-2-[(piperidine-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 16682292
(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 16405217
N-[(4-methylpiperidin-1-yl)carbonyl]isoleucine
CID 4407689
(2S)-5,5-dimethyl-2-[(morpholine-4-carbonyl)amino]hexanoic acid
CID 169080271
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63834776
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 105919237
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 105919239
1-[1-(2,2,2-Trifluoroethoxy)butan-2-ylcarbamoyl]piperidine-4-carboxylic acid
CID 122015957
N-Morpholinocarbonyl-(L)-valine
CID 946737
3-Methyl-2-(morpholine-4-carbonylamino)butanoic acid
CID 5239398

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63124044) is 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is COC(=O)C(C)NC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is ABMUJLMGQUKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(9(15)19-3)13-11(18)14-6-4-12(2,5-7-14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).