2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid

C12H17N3O4 — CID 79851632

IUPAC2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESN#CC1CN(C(=O)NC2(CC(=O)O)CCC2)CCO1
InChIInChI=1S/C12H17N3O4/c13-7-9-8-15(4-5-19-9)11(18)14-12(2-1-3-12)6-10(16)17/h9H,1-6,8H2,(H,14,18)(H,16,17)
InChIKeyKQQOYKOAMGGGQA-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.32
Rot. Bonds3

About 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79851632) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79851632
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESN#CC1CN(C(=O)NC2(CC(=O)O)CCC2)CCO1
InChIInChI=1S/C12H17N3O4/c13-7-9-8-15(4-5-19-9)11(18)14-12(2-1-3-12)6-10(16)17/h9H,1-6,8H2,(H,14,18)(H,16,17)
InChIKeyKQQOYKOAMGGGQA-UHFFFAOYSA-N
XLogP0.32
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic 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

2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
6-[(2-cyanomorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 79680359
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
4-[(2-cyanomorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80541016
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
CID 79916518
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid (CID 79851632) is 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid is N#CC1CN(C(=O)NC2(CC(=O)O)CCC2)CCO1.
What is the InChIKey of 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is KQQOYKOAMGGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-7-9-8-15(4-5-19-9)11(18)14-12(2-1-3-12)6-10(16)17/h9H,1-6,8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).