2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid

C17H29N3O4 — CID 122026192

IUPAC2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H29N3O4/c1-2-19(11-15(21)22)14-9-13(10-14)18-16(23)20-7-8-24-17(12-20)5-3-4-6-17/h13-14H,2-12H2,1H3,(H,18,23)(H,21,22)
InChIKeyTWGXOWJQDQSSEG-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.28
Rot. Bonds5

About 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid

2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid (PubChem CID 122026192) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
PubChem CID122026192
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H29N3O4/c1-2-19(11-15(21)22)14-9-13(10-14)18-16(23)20-7-8-24-17(12-20)5-3-4-6-17/h13-14H,2-12H2,1H3,(H,18,23)(H,21,22)
InChIKeyTWGXOWJQDQSSEG-UHFFFAOYSA-N
XLogP1.28
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234169
2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885
2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025331
(3aS,6aR)-2-[[3-[carboxymethyl(ethyl)amino]cyclobutyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122026359
2-[[3-[(6-cyclobutyl-1,4-oxazepane-4-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026568
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[ethyl-[3-[(4-ethyl-1,4-diazepane-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026148
2-[[3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025961
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748
2-[ethyl-[3-[(3-propylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026226
2-[ethyl-[3-[(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026089

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid (CID 122026192) is 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid?
The InChIKey is TWGXOWJQDQSSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-2-19(11-15(21)22)14-9-13(10-14)18-16(23)20-7-8-24-17(12-20)5-3-4-6-17/h13-14H,2-12H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid?
2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid has a molecular weight of 339.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).