2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid

C19H33N3O6 — CID 122025961

IUPAC2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCOC(=O)C1(COC)CCCN(C(=O)NC2CC(N(CC)CC(=O)O)C2)C1
InChIInChI=1S/C19H33N3O6/c1-4-21(11-16(23)24)15-9-14(10-15)20-18(26)22-8-6-7-19(12-22,13-27-3)17(25)28-5-2/h14-15H,4-13H2,1-3H3,(H,20,26)(H,23,24)
InChIKeyGZCCYOMSJGTTAC-UHFFFAOYSA-N
MW399.49 g/mol
LogP0.93
Rot. Bonds9

About 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122025961) has the molecular formula C19H33N3O6 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122025961
Molecular FormulaC19H33N3O6
Molecular Weight399.49 g/mol
Exact Mass399.24
IUPAC Name2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCOC(=O)C1(COC)CCCN(C(=O)NC2CC(N(CC)CC(=O)O)C2)C1
InChIInChI=1S/C19H33N3O6/c1-4-21(11-16(23)24)15-9-14(10-15)20-18(26)22-8-6-7-19(12-22,13-27-3)17(25)28-5-2/h14-15H,4-13H2,1-3H3,(H,20,26)(H,23,24)
InChIKeyGZCCYOMSJGTTAC-UHFFFAOYSA-N
XLogP0.93
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]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

3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018248
2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026192
2-[ethyl-[3-[(4-ethyl-1,4-diazepane-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026148
2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025331
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[ethyl-[3-[[3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026546
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[ethyl-[3-[(3-propylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026226
2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025527
2-[[3-[[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026870
(3aS,6aR)-2-[[3-[carboxymethyl(ethyl)amino]cyclobutyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122026359
2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122025961) is 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid is CCOC(=O)C1(COC)CCCN(C(=O)NC2CC(N(CC)CC(=O)O)C2)C1.
What is the InChIKey of 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is GZCCYOMSJGTTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O6/c1-4-21(11-16(23)24)15-9-14(10-15)20-18(26)22-8-6-7-19(12-22,13-27-3)17(25)28-5-2/h14-15H,4-13H2,1-3H3,(H,20,26)(H,23,24).
What are the key properties of 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 399.49 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122025961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).