1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid

C13H22N2O3 — CID 104597364

IUPAC1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CC(N)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18)6-2-3-7-15(13)11(16)8-10(14)9-4-5-9/h9-10H,2-8,14H2,1H3,(H,17,18)
InChIKeyHUVIKCNCHOBRBY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.97
Rot. Bonds4

About 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid

1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597364) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104597364
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CC(N)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18)6-2-3-7-15(13)11(16)8-10(14)9-4-5-9/h9-10H,2-8,14H2,1H3,(H,17,18)
InChIKeyHUVIKCNCHOBRBY-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79854494
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid (CID 104597364) is 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)CC(N)C1CC1.
What is the InChIKey of 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is HUVIKCNCHOBRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(12(17)18)6-2-3-7-15(13)11(16)8-10(14)9-4-5-9/h9-10H,2-8,14H2,1H3,(H,17,18).
What are the key properties of 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).