(3S)-4-methylpiperidine-3-carboxylic acid

C7H13NO2 — CID 67216948

IUPAC(3S)-4-methylpiperidine-3-carboxylic acid
SMILESCC1CCNC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-5-2-3-8-4-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyWKOFYEXTIWYYNM-PRJDIBJQSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds1

About (3S)-4-methylpiperidine-3-carboxylic acid

(3S)-4-methylpiperidine-3-carboxylic acid (PubChem CID 67216948) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S)-4-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-methylpiperidine-3-carboxylic acid
PubChem CID67216948
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S)-4-methylpiperidine-3-carboxylic acid
SMILESCC1CCNC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-5-2-3-8-4-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyWKOFYEXTIWYYNM-PRJDIBJQSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(4-methylpiperidin-3-yl)methanone
CID 164664157
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148
3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
CID 178194493
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
CID 134324824
tert-butyl-(4-methylpiperidin-3-yl)carbamic acid
CID 67241407

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-4-methylpiperidine-3-carboxylic acid (CID 67216948) is (3S)-4-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-4-methylpiperidine-3-carboxylic acid is CC1CCNC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-methylpiperidine-3-carboxylic acid?
The InChIKey is WKOFYEXTIWYYNM-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-2-3-8-4-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1.
What are the key properties of (3S)-4-methylpiperidine-3-carboxylic acid?
(3S)-4-methylpiperidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 67216948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).