4-methylazetidine-2-carboxylic acid;1,4-xylene

C13H19NO2 — CID 175179759

IUPAC4-methylazetidine-2-carboxylic acid;1,4-xylene
SMILESCC1CC(C(=O)O)N1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H9NO2/c1-7-3-5-8(2)6-4-7;1-3-2-4(6-3)5(7)8/h3-6H,1-2H3;3-4,6H,2H2,1H3,(H,7,8)
InChIKeyYKQRCZPNSNQLRC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds1

About 4-methylazetidine-2-carboxylic acid;1,4-xylene

4-methylazetidine-2-carboxylic acid;1,4-xylene (PubChem CID 175179759) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methylazetidine-2-carboxylic acid;1,4-xylene.

Molecular Properties

Compound Name4-methylazetidine-2-carboxylic acid;1,4-xylene
PubChem CID175179759
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methylazetidine-2-carboxylic acid;1,4-xylene
SMILESCC1CC(C(=O)O)N1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H9NO2/c1-7-3-5-8(2)6-4-7;1-3-2-4(6-3)5(7)8/h3-6H,1-2H3;3-4,6H,2H2,1H3,(H,7,8)
InChIKeyYKQRCZPNSNQLRC-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
(2S,4R,6R)-4,6-dimethylpiperidine-2-carboxylic acid
CID 124708734
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
6-methyl-4-oxopiperidine-2-carboxylic acid
CID 78053770
2,6-dimethyl-4-(4-methylphenyl)piperidine
CID 59343380
(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)piperazine
CID 95438756
carbonic acid;1,4-xylene
CID 89415214
(4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 118312111
(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 68644523
(2S,4S)-4-(4-methylanilino)-5-oxopyrrolidine-2-carboxylic acid
CID 14442454

Frequently Asked Questions

What is the IUPAC name of 4-methylazetidine-2-carboxylic acid;1,4-xylene?
The IUPAC name of 4-methylazetidine-2-carboxylic acid;1,4-xylene (CID 175179759) is 4-methylazetidine-2-carboxylic acid;1,4-xylene.
What is the SMILES notation for 4-methylazetidine-2-carboxylic acid;1,4-xylene?
The canonical SMILES for 4-methylazetidine-2-carboxylic acid;1,4-xylene is CC1CC(C(=O)O)N1.Cc1ccc(C)cc1.
What is the InChIKey of 4-methylazetidine-2-carboxylic acid;1,4-xylene?
The InChIKey is YKQRCZPNSNQLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H9NO2/c1-7-3-5-8(2)6-4-7;1-3-2-4(6-3)5(7)8/h3-6H,1-2H3;3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of 4-methylazetidine-2-carboxylic acid;1,4-xylene?
4-methylazetidine-2-carboxylic acid;1,4-xylene has a molecular weight of 221.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazetidine-2-carboxylic acid;1,4-xylene is sourced from PubChem (CID 175179759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).