2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid

C14H24N2O3 — CID 79854754

IUPAC2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
SMILESNC1(CC(=O)NC2(CC(=O)O)CCCCC2)CCC1
InChIInChI=1S/C14H24N2O3/c15-13(5-4-6-13)9-11(17)16-14(10-12(18)19)7-2-1-3-8-14/h1-10,15H2,(H,16,17)(H,18,19)
InChIKeyXZINVAZMUBJDMC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.55
Rot. Bonds5

About 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid

2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid (PubChem CID 79854754) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
PubChem CID79854754
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
SMILESNC1(CC(=O)NC2(CC(=O)O)CCCCC2)CCC1
InChIInChI=1S/C14H24N2O3/c15-13(5-4-6-13)9-11(17)16-14(10-12(18)19)7-2-1-3-8-14/h1-10,15H2,(H,16,17)(H,18,19)
InChIKeyXZINVAZMUBJDMC-UHFFFAOYSA-N
XLogP1.55
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid (CID 79854754) is 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid is NC1(CC(=O)NC2(CC(=O)O)CCCCC2)CCC1.
What is the InChIKey of 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is XZINVAZMUBJDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-13(5-4-6-13)9-11(17)16-14(10-12(18)19)7-2-1-3-8-14/h1-10,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 79854754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).