2-carbamoylazetidine-1-carboxylic acid

C5H8N2O3 — CID 66897178

IUPAC2-carbamoylazetidine-1-carboxylic acid
SMILESNC(=O)C1CCN1C(=O)O
InChIInChI=1S/C5H8N2O3/c6-4(8)3-1-2-7(3)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyZBHXBYNJIWWRLY-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.78
Rot. Bonds1

About 2-carbamoylazetidine-1-carboxylic acid

2-carbamoylazetidine-1-carboxylic acid (PubChem CID 66897178) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-carbamoylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-carbamoylazetidine-1-carboxylic acid
PubChem CID66897178
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-carbamoylazetidine-1-carboxylic acid
SMILESNC(=O)C1CCN1C(=O)O
InChIInChI=1S/C5H8N2O3/c6-4(8)3-1-2-7(3)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyZBHXBYNJIWWRLY-UHFFFAOYSA-N
XLogP-0.78
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 ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbonochloridoylazetidine-1-carboxylic acid
CID 152639531
2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid
CID 22341714
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
1-(2-phenylbenzoyl)azetidine-2-carboxamide
CID 67018285
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 134172897
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-carbamimidoylazetidine-2-carboxylic acid
CID 118492901
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylazetidine-1-carboxylic acid?
The IUPAC name of 2-carbamoylazetidine-1-carboxylic acid (CID 66897178) is 2-carbamoylazetidine-1-carboxylic acid.
What is the SMILES notation for 2-carbamoylazetidine-1-carboxylic acid?
The canonical SMILES for 2-carbamoylazetidine-1-carboxylic acid is NC(=O)C1CCN1C(=O)O.
What is the InChIKey of 2-carbamoylazetidine-1-carboxylic acid?
The InChIKey is ZBHXBYNJIWWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-4(8)3-1-2-7(3)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10).
What are the key properties of 2-carbamoylazetidine-1-carboxylic acid?
2-carbamoylazetidine-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylazetidine-1-carboxylic acid is sourced from PubChem (CID 66897178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).