1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid

C10H18N2O3 — CID 107072433

IUPAC1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(C)C(N)=O)C1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-3-5-12(7(2)9(11)13)8(6)10(14)15/h6-8H,3-5H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyHVLVIVNANYZMQG-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds3

About 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid

1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072433) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107072433
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(C)C(N)=O)C1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-3-5-12(7(2)9(11)13)8(6)10(14)15/h6-8H,3-5H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyHVLVIVNANYZMQG-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
CID 124744772
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
2-(3-methyl-1,4-oxazepan-4-yl)propanamide
CID 130943361
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 78959403
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid (CID 107072433) is 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(C)C(N)=O)C1C(=O)O.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is HVLVIVNANYZMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-4-3-5-12(7(2)9(11)13)8(6)10(14)15/h6-8H,3-5H2,1-2H3,(H2,11,13)(H,14,15).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid?
1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).