2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid

C17H25N3O4S — CID 122026211

IUPAC2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCOC(c3ccsc3)C2)C1
InChIInChI=1S/C17H25N3O4S/c1-2-19(10-16(21)22)14-7-13(8-14)18-17(23)20-4-5-24-15(9-20)12-3-6-25-11-12/h3,6,11,13-15H,2,4-5,7-10H2,1H3,(H,18,23)(H,21,22)
InChIKeyZNVUKOQNSNUVED-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.77
Rot. Bonds6

About 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122026211) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122026211
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCOC(c3ccsc3)C2)C1
InChIInChI=1S/C17H25N3O4S/c1-2-19(10-16(21)22)14-7-13(8-14)18-17(23)20-4-5-24-15(9-20)12-3-6-25-11-12/h3,6,11,13-15H,2,4-5,7-10H2,1H3,(H,18,23)(H,21,22)
InChIKeyZNVUKOQNSNUVED-UHFFFAOYSA-N
XLogP1.77
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885
2-[[3-[(6-cyclobutyl-1,4-oxazepane-4-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026568
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748
2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026192
2-[ethyl-[3-[[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025782
2-[ethyl-[3-(2,4,5,6-tetrahydro-1H-3-benzazocine-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026459
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
2-[ethyl-[3-[(3-propylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026226
2-[ethyl-[3-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026215
2-[ethyl-[3-[(8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026055
2-[ethyl-[3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122027069

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid (CID 122026211) is 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCOC(c3ccsc3)C2)C1.
What is the InChIKey of 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is ZNVUKOQNSNUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-2-19(10-16(21)22)14-7-13(8-14)18-17(23)20-4-5-24-15(9-20)12-3-6-25-11-12/h3,6,11,13-15H,2,4-5,7-10H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 367.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).