3-carbamoylazetidine-1-carboxylic acid

C5H8N2O3 — CID 22731075

IUPAC3-carbamoylazetidine-1-carboxylic acid
SMILESNC(=O)C1CN(C(=O)O)C1
InChIInChI=1S/C5H8N2O3/c6-4(8)3-1-7(2-3)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyVPXMBGWCBFERIP-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.92
Rot. Bonds1

About 3-carbamoylazetidine-1-carboxylic acid

3-carbamoylazetidine-1-carboxylic acid (PubChem CID 22731075) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-carbamoylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-carbamoylazetidine-1-carboxylic acid
PubChem CID22731075
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name3-carbamoylazetidine-1-carboxylic acid
SMILESNC(=O)C1CN(C(=O)O)C1
InChIInChI=1S/C5H8N2O3/c6-4(8)3-1-7(2-3)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyVPXMBGWCBFERIP-UHFFFAOYSA-N
XLogP-0.92
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
1-N,1-N-dimethylazetidine-1,3-dicarboxamide
CID 130950203
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
1-(2-hydrazinyl-2-oxoacetyl)azetidine-3-carboxamide
CID 131114882
3-carbamoyl-4-fluoropyrrolidine-1-carboxylic acid
CID 174864585
1-(3-sulfamoylpropanoyl)azetidine-3-carboxamide
CID 162460104
1-(2-bromo-2-methylpropanoyl)azetidine-3-carboxamide
CID 131048709
1-N-cyclopropylazetidine-1,3-dicarboxamide
CID 131048719
1-[2-(sulfamoylamino)acetyl]azetidine-3-carboxamide
CID 151708967
1-(morpholine-4-carbonyl)azetidine-3-carboxamide
CID 158069927
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
(1R,5S)-6-carbamothioyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 129052499

Frequently Asked Questions

What is the IUPAC name of 3-carbamoylazetidine-1-carboxylic acid?
The IUPAC name of 3-carbamoylazetidine-1-carboxylic acid (CID 22731075) is 3-carbamoylazetidine-1-carboxylic acid.
What is the SMILES notation for 3-carbamoylazetidine-1-carboxylic acid?
The canonical SMILES for 3-carbamoylazetidine-1-carboxylic acid is NC(=O)C1CN(C(=O)O)C1.
What is the InChIKey of 3-carbamoylazetidine-1-carboxylic acid?
The InChIKey is VPXMBGWCBFERIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-4(8)3-1-7(2-3)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10).
What are the key properties of 3-carbamoylazetidine-1-carboxylic acid?
3-carbamoylazetidine-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoylazetidine-1-carboxylic acid is sourced from PubChem (CID 22731075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).