2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid

C17H22N2O5 — CID 128993619

IUPAC2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C17H22N2O5/c1-2-19(9-17(21)22)13-7-12(8-13)18-16(20)6-11-3-4-14-15(5-11)24-10-23-14/h3-5,12-13H,2,6-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyIDSGCOWRNBQFQC-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.01
Rot. Bonds7

About 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 128993619) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID128993619
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C17H22N2O5/c1-2-19(9-17(21)22)13-7-12(8-13)18-16(20)6-11-3-4-14-15(5-11)24-10-23-14/h3-5,12-13H,2,6-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyIDSGCOWRNBQFQC-UHFFFAOYSA-N
XLogP1.01
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]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-[[3-(1,3-benzodioxol-5-ylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070358
2-[ethyl-[3-[(6-methyl-1,3-benzodioxol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089238
2-[[3-(1,3-benzodioxol-5-ylcarbamoylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073385
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
CID 51260808
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
2-[1,3-benzodioxol-5-ylmethylcarbamoyl(ethyl)amino]acetic acid
CID 62905595
2-[[3-[2-(3,4-difluorophenyl)ethylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122011275
2-[[3-[[4-(difluoromethyl)phenyl]methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122010152
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 128993619) is 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Cc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is IDSGCOWRNBQFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-19(9-17(21)22)13-7-12(8-13)18-16(20)6-11-3-4-14-15(5-11)24-10-23-14/h3-5,12-13H,2,6-10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 128993619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).