2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid

C9H13N5O3 — CID 106742046

IUPAC2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1nn[nH]n1
InChIInChI=1S/C9H13N5O3/c1-5-4-6(9(16)17)2-3-14(5)8(15)7-10-12-13-11-7/h5-6H,2-4H2,1H3,(H,16,17)(H,10,11,12,13)
InChIKeyIWVARBGDDXDNLS-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.47
Rot. Bonds2

About 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid

2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 106742046) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID106742046
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1nn[nH]n1
InChIInChI=1S/C9H13N5O3/c1-5-4-6(9(16)17)2-3-14(5)8(15)7-10-12-13-11-7/h5-6H,2-4H2,1H3,(H,16,17)(H,10,11,12,13)
InChIKeyIWVARBGDDXDNLS-UHFFFAOYSA-N
XLogP-0.47
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741888
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2H-tetrazol-5-yl)methanone
CID 102727645
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
1-(4,5-dichloro-1H-pyrrole-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741880
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742890
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741830
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid (CID 106742046) is 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1nn[nH]n1.
What is the InChIKey of 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is IWVARBGDDXDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-5-4-6(9(16)17)2-3-14(5)8(15)7-10-12-13-11-7/h5-6H,2-4H2,1H3,(H,16,17)(H,10,11,12,13).
What are the key properties of 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid?
2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).