3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid

C5H8N2O3 — CID 20715926

IUPAC3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid
SMILESNCC1C(=O)NC1C(=O)O
InChIInChI=1S/C5H8N2O3/c6-1-2-3(5(9)10)7-4(2)8/h2-3H,1,6H2,(H,7,8)(H,9,10)
InChIKeyZDWDNNQVBQBDJW-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.86
Rot. Bonds2

About 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid

3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid (PubChem CID 20715926) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid
PubChem CID20715926
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid
SMILESNCC1C(=O)NC1C(=O)O
InChIInChI=1S/C5H8N2O3/c6-1-2-3(5(9)10)7-4(2)8/h2-3H,1,6H2,(H,7,8)(H,9,10)
InChIKeyZDWDNNQVBQBDJW-UHFFFAOYSA-N
XLogP-1.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetylasparagine
CID 99715
Glycyl-L-asparagine
CID 99282
beta-L-Aspartylglycine
CID 302430
NoName_662
CID 306141
(2S)-4-oxoazetidine-2-carboxylic acid
CID 13469007
Val-Asn
CID 7020201
4-Oxoazetidine-2-carboxylic acid
CID 3488064
2-[(2-methylpropyl)amino]-3-[N-(2-methylpropyl)carbamoyl]propanoic acid
CID 2957472
2-Acetamido-4-amino-4-oxobutanoic acid
CID 78333
beta-Aspartylglycine
CID 99717
N2-Acetyl-D-asparagine
CID 117735
(2S)-2-(3-carboxypropanoylamino)-3-methylbutanoic acid
CID 40532589

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid (CID 20715926) is 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid is NCC1C(=O)NC1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid?
The InChIKey is ZDWDNNQVBQBDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-1-2-3(5(9)10)7-4(2)8/h2-3H,1,6H2,(H,7,8)(H,9,10).
What are the key properties of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid?
3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 20715926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).