1-carbamoyl-2-methylpiperidine-3-carboxylic acid

C8H14N2O3 — CID 130961604

IUPAC1-carbamoyl-2-methylpiperidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCCN1C(N)=O
InChIInChI=1S/C8H14N2O3/c1-5-6(7(11)12)3-2-4-10(5)8(9)13/h5-6H,2-4H2,1H3,(H2,9,13)(H,11,12)
InChIKeyGAQLZOQBWMCHHG-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.25
Rot. Bonds1

About 1-carbamoyl-2-methylpiperidine-3-carboxylic acid

1-carbamoyl-2-methylpiperidine-3-carboxylic acid (PubChem CID 130961604) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-carbamoyl-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-2-methylpiperidine-3-carboxylic acid
PubChem CID130961604
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-carbamoyl-2-methylpiperidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCCN1C(N)=O
InChIInChI=1S/C8H14N2O3/c1-5-6(7(11)12)3-2-4-10(5)8(9)13/h5-6H,2-4H2,1H3,(H2,9,13)(H,11,12)
InChIKeyGAQLZOQBWMCHHG-UHFFFAOYSA-N
XLogP0.25
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
2-methyl-3-N-phenylpiperidine-1,3-dicarboxamide
CID 66701465
(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122115293
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115605
(2S,3S)-2-methyl-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 122114574
(2S,3S)-2-methyl-1-[methyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122104890
1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
CID 131173226
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908
(2S,3S)-2-methyl-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 122115222
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S,3S)-1-(2,3-dimethylpentanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116802

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-carbamoyl-2-methylpiperidine-3-carboxylic acid (CID 130961604) is 1-carbamoyl-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-carbamoyl-2-methylpiperidine-3-carboxylic acid is CC1C(C(=O)O)CCCN1C(N)=O.
What is the InChIKey of 1-carbamoyl-2-methylpiperidine-3-carboxylic acid?
The InChIKey is GAQLZOQBWMCHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-6(7(11)12)3-2-4-10(5)8(9)13/h5-6H,2-4H2,1H3,(H2,9,13)(H,11,12).
What are the key properties of 1-carbamoyl-2-methylpiperidine-3-carboxylic acid?
1-carbamoyl-2-methylpiperidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 130961604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).