(2R,4S)-4-methylpiperidine-2-carboxylic acid

C7H13NO2 — CID 11008516

IUPAC(2R,4S)-4-methylpiperidine-2-carboxylic acid
SMILESC[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyUQHCHLWYGMSPJC-NTSWFWBYSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds1

About (2R,4S)-4-methylpiperidine-2-carboxylic acid

(2R,4S)-4-methylpiperidine-2-carboxylic acid (PubChem CID 11008516) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R,4S)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-methylpiperidine-2-carboxylic acid
PubChem CID11008516
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R,4S)-4-methylpiperidine-2-carboxylic acid
SMILESC[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyUQHCHLWYGMSPJC-NTSWFWBYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pipecolic Acid
CID 849
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
Selfotel
CID 68736
L-pipecolate
CID 6931663
(1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 11366996
cis-2,3-Piperidine dicarboxylic acid
CID 11957663
Piperidine-2-carboxylate
CID 25200477
3-(Piperidin-4-yl)propanoic acid
CID 1520806
4-(Phosphonomethyl)piperidine-2-carboxylic acid
CID 4324257
Selfotel, (-)-
CID 6604838
(2R,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 14541446

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-methylpiperidine-2-carboxylic acid (CID 11008516) is (2R,4S)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-methylpiperidine-2-carboxylic acid is C[C@H]1CCN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is UQHCHLWYGMSPJC-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-4-methylpiperidine-2-carboxylic acid?
(2R,4S)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 11008516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).