(2S)-piperidin-1-ide-2-carboxylate

C6H9NO2-2 — CID 145032257

IUPAC(2S)-piperidin-1-ide-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[N-]1
InChIInChI=1S/C6H10NO2/c8-6(9)5-3-1-2-4-7-5/h5H,1-4H2,(H,8,9)/q-1/p-1/t5-/m0/s1
InChIKeyPFUNFLNVBNITSB-YFKPBYRVSA-M
MW127.14 g/mol
LogP-0.34
Rot. Bonds1

About (2S)-piperidin-1-ide-2-carboxylate

(2S)-piperidin-1-ide-2-carboxylate (PubChem CID 145032257) has the molecular formula C6H9NO2-2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2S)-piperidin-1-ide-2-carboxylate.

Molecular Properties

Compound Name(2S)-piperidin-1-ide-2-carboxylate
PubChem CID145032257
Molecular FormulaC6H9NO2-2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2S)-piperidin-1-ide-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[N-]1
InChIInChI=1S/C6H10NO2/c8-6(9)5-3-1-2-4-7-5/h5H,1-4H2,(H,8,9)/q-1/p-1/t5-/m0/s1
InChIKeyPFUNFLNVBNITSB-YFKPBYRVSA-M
XLogP-0.34
TPSA54.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pipecolic Acid
CID 849
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
L-pipecolate
CID 6931663
Homostachydrine
CID 441447
N-Nitrosopipecolic acid
CID 20614
Piperidine-2-carboxylate
CID 25200477
(2R)-piperidin-1-ium-2-carboxylate
CID 6931662
1-Methylpiperidine-2-carboxylic acid
CID 415939
(2R)-1-methylpiperidine-2-carboxylic acid
CID 11286529
N-hydroxypipecolic acid
CID 269025
N-hydroxy-L-pipecolic acid
CID 92246037

Frequently Asked Questions

What is the IUPAC name of (2S)-piperidin-1-ide-2-carboxylate?
The IUPAC name of (2S)-piperidin-1-ide-2-carboxylate (CID 145032257) is (2S)-piperidin-1-ide-2-carboxylate.
What is the SMILES notation for (2S)-piperidin-1-ide-2-carboxylate?
The canonical SMILES for (2S)-piperidin-1-ide-2-carboxylate is O=C([O-])[C@@H]1CCCC[N-]1.
What is the InChIKey of (2S)-piperidin-1-ide-2-carboxylate?
The InChIKey is PFUNFLNVBNITSB-YFKPBYRVSA-M. The full InChI is InChI=1S/C6H10NO2/c8-6(9)5-3-1-2-4-7-5/h5H,1-4H2,(H,8,9)/q-1/p-1/t5-/m0/s1.
What are the key properties of (2S)-piperidin-1-ide-2-carboxylate?
(2S)-piperidin-1-ide-2-carboxylate has a molecular weight of 127.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-piperidin-1-ide-2-carboxylate is sourced from PubChem (CID 145032257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).