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

C6H12N2O3 — CID 159636453

IUPAC3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane
SMILESC.NCC1C(=O)NC1C(=O)O
InChIInChI=1S/C5H8N2O3.CH4/c6-1-2-3(5(9)10)7-4(2)8;/h2-3H,1,6H2,(H,7,8)(H,9,10);1H4
InChIKeyMPUPPRGOFCDAPF-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.22
Rot. Bonds2

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

3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane (PubChem CID 159636453) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane.

Molecular Properties

Compound Name3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane
PubChem CID159636453
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane
SMILESC.NCC1C(=O)NC1C(=O)O
InChIInChI=1S/C5H8N2O3.CH4/c6-1-2-3(5(9)10)7-4(2)8;/h2-3H,1,6H2,(H,7,8)(H,9,10);1H4
InChIKeyMPUPPRGOFCDAPF-UHFFFAOYSA-N
XLogP-1.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Acetylasparagine
CID 99715
beta-L-Aspartylglycine
CID 302430
Asparaginylvaline
CID 18218188
(2S)-4-oxoazetidine-2-carboxylic acid
CID 13469007
(2S)-4-amino-2-acetamidobutanoic acid
CID 10953804
Ala-Asn
CID 1549441
N-(2-Amino-1-hydroxypropylidene)-4-iminohomoserine
CID 259612
Aspartylvaline
CID 4991131
Val-Asn
CID 7020201
4-Oxoazetidine-2-carboxylic acid
CID 3488064
H-Asp(Leu-OH)-OH
CID 7016063
Asn-Val
CID 7019993

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane?
The IUPAC name of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane (CID 159636453) is 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane.
What is the SMILES notation for 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane?
The canonical SMILES for 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane is C.NCC1C(=O)NC1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane?
The InChIKey is MPUPPRGOFCDAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3.CH4/c6-1-2-3(5(9)10)7-4(2)8;/h2-3H,1,6H2,(H,7,8)(H,9,10);1H4.
What are the key properties of 3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane?
3-(aminomethyl)-4-oxoazetidine-2-carboxylic acid;methane has a molecular weight of 160.17 g/mol, XLogP of -1.22, 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;methane is sourced from PubChem (CID 159636453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).