1-(2-methylpropyl)azetidine-2-carboxylic acid

C8H15NO2 — CID 22132132

IUPAC1-(2-methylpropyl)azetidine-2-carboxylic acid
SMILESCC(C)CN1CCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)5-9-4-3-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyJPSSHIQLFVOVQC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds3

About 1-(2-methylpropyl)azetidine-2-carboxylic acid

1-(2-methylpropyl)azetidine-2-carboxylic acid (PubChem CID 22132132) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)azetidine-2-carboxylic acid
PubChem CID22132132
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-methylpropyl)azetidine-2-carboxylic acid
SMILESCC(C)CN1CCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)5-9-4-3-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyJPSSHIQLFVOVQC-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-(2-hydroxy-3-methylpentyl)azetidine-2-carboxylic acid
CID 69349562
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine
CID 155036700
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
1-(3-carboxypropyl)azetidine-2-carboxylic acid
CID 145117492
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)azetidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)azetidine-2-carboxylic acid (CID 22132132) is 1-(2-methylpropyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)azetidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)azetidine-2-carboxylic acid is CC(C)CN1CCC1C(=O)O.
What is the InChIKey of 1-(2-methylpropyl)azetidine-2-carboxylic acid?
The InChIKey is JPSSHIQLFVOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-9-4-3-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-(2-methylpropyl)azetidine-2-carboxylic acid?
1-(2-methylpropyl)azetidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 22132132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).