3-aminoazetidine-3-carboxylic acid

C4H8N2O2 — CID 15024260

IUPAC3-aminoazetidine-3-carboxylic acid
SMILESNC1(C(=O)O)CNC1
InChIInChI=1S/C4H8N2O2/c5-4(3(7)8)1-6-2-4/h6H,1-2,5H2,(H,7,8)
InChIKeyDFSBPJSOVRGSTO-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.63
Rot. Bonds1

About 3-aminoazetidine-3-carboxylic acid

3-aminoazetidine-3-carboxylic acid (PubChem CID 15024260) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-aminoazetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-aminoazetidine-3-carboxylic acid
PubChem CID15024260
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-aminoazetidine-3-carboxylic acid
SMILESNC1(C(=O)O)CNC1
InChIInChI=1S/C4H8N2O2/c5-4(3(7)8)1-6-2-4/h6H,1-2,5H2,(H,7,8)
InChIKeyDFSBPJSOVRGSTO-UHFFFAOYSA-N
XLogP-1.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Amino-beta-methylaminopropionic acid
CID 28558
beta-(N-Methylamino)-L-alanine
CID 105089
4-Azalysine
CID 22839376
3-(N-Methylamino)-D-alanine
CID 6999077
3-Azidoazetidine-3-carboxylic acid
CID 129844210
beta-N-methylamino-l-alanine-d3
CID 133188428
beta-Methylamino-d-alanine
CID 138757297
3-(2,2,2-Trifluoroethylamino)azetidine-3-carboxylic acid
CID 132594082
2-Amino-3-(2-aminoethylamino)propanoic acid
CID 18781919
3-(Methylamino)azetidine-3-carboxylic acid
CID 21083711
3-(Propan-2-ylamino)azetidine-3-carboxylic acid
CID 21905782
3-(Ethylamino)azetidine-3-carboxylic acid
CID 21905797

Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidine-3-carboxylic acid?
The IUPAC name of 3-aminoazetidine-3-carboxylic acid (CID 15024260) is 3-aminoazetidine-3-carboxylic acid.
What is the SMILES notation for 3-aminoazetidine-3-carboxylic acid?
The canonical SMILES for 3-aminoazetidine-3-carboxylic acid is NC1(C(=O)O)CNC1.
What is the InChIKey of 3-aminoazetidine-3-carboxylic acid?
The InChIKey is DFSBPJSOVRGSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-4(3(7)8)1-6-2-4/h6H,1-2,5H2,(H,7,8).
What are the key properties of 3-aminoazetidine-3-carboxylic acid?
3-aminoazetidine-3-carboxylic acid has a molecular weight of 116.12 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidine-3-carboxylic acid is sourced from PubChem (CID 15024260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).