(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid

C13H17N3O3 — CID 95804911

IUPAC(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
SMILESCC(=O)N1CC[C@@]1(CCCc1cnccn1)C(=O)O
InChIInChI=1S/C13H17N3O3/c1-10(17)16-8-5-13(16,12(18)19)4-2-3-11-9-14-6-7-15-11/h6-7,9H,2-5,8H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyFJNKHRCSZBJYOX-ZDUSSCGKSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds5

About (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid

(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid (PubChem CID 95804911) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
PubChem CID95804911
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
SMILESCC(=O)N1CC[C@@]1(CCCc1cnccn1)C(=O)O
InChIInChI=1S/C13H17N3O3/c1-10(17)16-8-5-13(16,12(18)19)4-2-3-11-9-14-6-7-15-11/h6-7,9H,2-5,8H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyFJNKHRCSZBJYOX-ZDUSSCGKSA-N
XLogP0.87
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-hydroxyethyl)-N-methyl-2-(3-pyrazin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 125003817
1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
CID 125012481
1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 71298904
(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125007457
(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 125018214
5-pyrazin-2-ylpentanoic acid
CID 22934386
8-pyrazin-2-yloctanoic acid
CID 67107978
2-(3-pyrazin-2-ylpropyl)piperidine-2-carboxamide
CID 73440335
(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125013693
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119061410
(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 126445524

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid (CID 95804911) is (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid is CC(=O)N1CC[C@@]1(CCCc1cnccn1)C(=O)O.
What is the InChIKey of (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid?
The InChIKey is FJNKHRCSZBJYOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10(17)16-8-5-13(16,12(18)19)4-2-3-11-9-14-6-7-15-11/h6-7,9H,2-5,8H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid?
(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 95804911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).