1-amino-3-methylpiperidine-3-carboxylic acid

C7H14N2O2 — CID 151231433

IUPAC1-amino-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(N)C1
InChIInChI=1S/C7H14N2O2/c1-7(6(10)11)3-2-4-9(8)5-7/h2-5,8H2,1H3,(H,10,11)
InChIKeyNOJGUHVPAOKTEK-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds1

About 1-amino-3-methylpiperidine-3-carboxylic acid

1-amino-3-methylpiperidine-3-carboxylic acid (PubChem CID 151231433) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-amino-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-methylpiperidine-3-carboxylic acid
PubChem CID151231433
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-amino-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(N)C1
InChIInChI=1S/C7H14N2O2/c1-7(6(10)11)3-2-4-9(8)5-7/h2-5,8H2,1H3,(H,10,11)
InChIKeyNOJGUHVPAOKTEK-UHFFFAOYSA-N
XLogP0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 64677649
3-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
CID 63137109
3-methyl-1-prop-2-ynylpiperidine-3-carboxylic acid
CID 63137152
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
1-(difluoromethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136084

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-amino-3-methylpiperidine-3-carboxylic acid (CID 151231433) is 1-amino-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-amino-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-amino-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(N)C1.
What is the InChIKey of 1-amino-3-methylpiperidine-3-carboxylic acid?
The InChIKey is NOJGUHVPAOKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(6(10)11)3-2-4-9(8)5-7/h2-5,8H2,1H3,(H,10,11).
What are the key properties of 1-amino-3-methylpiperidine-3-carboxylic acid?
1-amino-3-methylpiperidine-3-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 151231433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).