(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid

C11H14N4O3 — CID 97166506

IUPAC(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid
SMILESO=C(CN1CCNC[C@H]1C(=O)O)c1cnccn1
InChIInChI=1S/C11H14N4O3/c16-10(8-5-12-1-2-14-8)7-15-4-3-13-6-9(15)11(17)18/h1-2,5,9,13H,3-4,6-7H2,(H,17,18)/t9-/m0/s1
InChIKeyMPWOVKDNBQKNRR-VIFPVBQESA-N
MW250.26 g/mol
LogP-0.98
Rot. Bonds4

About (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid

(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid (PubChem CID 97166506) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid
PubChem CID97166506
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid
SMILESO=C(CN1CCNC[C@H]1C(=O)O)c1cnccn1
InChIInChI=1S/C11H14N4O3/c16-10(8-5-12-1-2-14-8)7-15-4-3-13-6-9(15)11(17)18/h1-2,5,9,13H,3-4,6-7H2,(H,17,18)/t9-/m0/s1
InChIKeyMPWOVKDNBQKNRR-VIFPVBQESA-N
XLogP-0.98
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
CID 159112921
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
CID 97162093
1-pyrazin-2-yl-2-[(3R)-pyrrolidin-3-yl]oxyethanone;hydrochloride
CID 71645143
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645191
1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
CID 97165756
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone
CID 141072428
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 86329900

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid (CID 97166506) is (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid is O=C(CN1CCNC[C@H]1C(=O)O)c1cnccn1.
What is the InChIKey of (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid?
The InChIKey is MPWOVKDNBQKNRR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(8-5-12-1-2-14-8)7-15-4-3-13-6-9(15)11(17)18/h1-2,5,9,13H,3-4,6-7H2,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid?
(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 97166506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).