(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid

C8H16N2O2 — CID 66707575

IUPAC(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
SMILESCN[C@@H]1CCN(C(=O)O)C[C@@H]1C
InChIInChI=1S/C8H16N2O2/c1-6-5-10(8(11)12)4-3-7(6)9-2/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyPFJVJFRZSIRJPI-NKWVEPMBSA-N
MW172.23 g/mol
LogP0.59
Rot. Bonds1

About (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid

(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid (PubChem CID 66707575) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
PubChem CID66707575
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
SMILESCN[C@@H]1CCN(C(=O)O)C[C@@H]1C
InChIInChI=1S/C8H16N2O2/c1-6-5-10(8(11)12)4-3-7(6)9-2/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyPFJVJFRZSIRJPI-NKWVEPMBSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 176981883
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
cyclohexyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498355
cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498190
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
[3-methyl-4-(methylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498376
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 114498163
1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
CID 114498267
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid (CID 66707575) is (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid is CN[C@@H]1CCN(C(=O)O)C[C@@H]1C.
What is the InChIKey of (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid?
The InChIKey is PFJVJFRZSIRJPI-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-5-10(8(11)12)4-3-7(6)9-2/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid?
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 66707575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).