3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid

C6H11N3O3 — CID 69047419

IUPAC3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid
SMILESCNC1(C(N)=O)CN(C(=O)O)C1
InChIInChI=1S/C6H11N3O3/c1-8-6(4(7)10)2-9(3-6)5(11)12/h8H,2-3H2,1H3,(H2,7,10)(H,11,12)
InChIKeyQRMRGBIRZOVDKL-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.58
Rot. Bonds2

About 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid

3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid (PubChem CID 69047419) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid
PubChem CID69047419
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid
SMILESCNC1(C(N)=O)CN(C(=O)O)C1
InChIInChI=1S/C6H11N3O3/c1-8-6(4(7)10)2-9(3-6)5(11)12/h8H,2-3H2,1H3,(H2,7,10)(H,11,12)
InChIKeyQRMRGBIRZOVDKL-UHFFFAOYSA-N
XLogP-1.58
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid 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

1-carbamimidoyl-3-(methylamino)azetidine-3-carboxamide
CID 170084954
1,5-dimethyl-3-(methylamino)pyrrolidine-3-carboxamide
CID 81468727
1,3,5-tris(methylamino)cyclohexane-1,3,5-tricarboxylic acid
CID 174766010
3-amino-1-(methylamino)cyclopentane-1-carboxamide
CID 23523618
1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid
CID 174223439
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-(methylamino)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 60796247
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
3-carbamoylazetidine-1-carboxylic acid
CID 22731075
1-ethyl-3-(ethylamino)azetidine-3-carboxamide
CID 67585701

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid?
The IUPAC name of 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid (CID 69047419) is 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid?
The canonical SMILES for 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid is CNC1(C(N)=O)CN(C(=O)O)C1.
What is the InChIKey of 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid?
The InChIKey is QRMRGBIRZOVDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-8-6(4(7)10)2-9(3-6)5(11)12/h8H,2-3H2,1H3,(H2,7,10)(H,11,12).
What are the key properties of 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid?
3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid is sourced from PubChem (CID 69047419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).