2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid

C9H13NO4 — CID 107214527

IUPAC2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1(O)CN(C(=O)C2CC2C(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-9(14)3-10(4-9)7(11)5-2-6(5)8(12)13/h5-6,14H,2-4H2,1H3,(H,12,13)
InChIKeyYWWUODDGTLYNIT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.70
Rot. Bonds2

About 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 107214527) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID107214527
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1(O)CN(C(=O)C2CC2C(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-9(14)3-10(4-9)7(11)5-2-6(5)8(12)13/h5-6,14H,2-4H2,1H3,(H,12,13)
InChIKeyYWWUODDGTLYNIT-UHFFFAOYSA-N
XLogP-0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 107214527) is 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid is CC1(O)CN(C(=O)C2CC2C(=O)O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is YWWUODDGTLYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(14)3-10(4-9)7(11)5-2-6(5)8(12)13/h5-6,14H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107214527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).