1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid

C8H13N3O4 — CID 79309421

IUPAC1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid
SMILESNC(=O)CC(N)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C8H13N3O4/c9-5(1-6(10)12)7(13)11-2-4(3-11)8(14)15/h4-5H,1-3,9H2,(H2,10,12)(H,14,15)
InChIKeyWWKDWNRPIIQOOI-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.27
Rot. Bonds4

About 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid

1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid (PubChem CID 79309421) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid
PubChem CID79309421
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid
SMILESNC(=O)CC(N)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C8H13N3O4/c9-5(1-6(10)12)7(13)11-2-4(3-11)8(14)15/h4-5H,1-3,9H2,(H2,10,12)(H,14,15)
InChIKeyWWKDWNRPIIQOOI-UHFFFAOYSA-N
XLogP-2.27
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957492
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-oxobutanamide;hydrochloride
CID 119957439
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
3-[4-(2,4-diamino-4-oxobutanoyl)piperazin-1-yl]propanoic acid
CID 61162188
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
CID 103827811
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
CID 82695564

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid (CID 79309421) is 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid is NC(=O)CC(N)C(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid?
The InChIKey is WWKDWNRPIIQOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-5(1-6(10)12)7(13)11-2-4(3-11)8(14)15/h4-5H,1-3,9H2,(H2,10,12)(H,14,15).
What are the key properties of 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid?
1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of -2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 79309421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).