2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid

C17H26N4O4S — CID 122093415

IUPAC2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2nc(C3CCOCC3)cs2)C1
InChIInChI=1S/C17H26N4O4S/c1-2-21(9-15(22)23)13-7-12(8-13)18-16(24)20-17-19-14(10-26-17)11-3-5-25-6-4-11/h10-13H,2-9H2,1H3,(H,22,23)(H2,18,19,20,24)
InChIKeyNPQQTFFDUGTKMM-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.10
Rot. Bonds7

About 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122093415) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122093415
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2nc(C3CCOCC3)cs2)C1
InChIInChI=1S/C17H26N4O4S/c1-2-21(9-15(22)23)13-7-12(8-13)18-16(24)20-17-19-14(10-26-17)11-3-5-25-6-4-11/h10-13H,2-9H2,1H3,(H,22,23)(H2,18,19,20,24)
InChIKeyNPQQTFFDUGTKMM-UHFFFAOYSA-N
XLogP2.10
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122084973
2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122094279
2-[ethyl-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074660
2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089391
2-[[3-(1-benzothiophen-7-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122087496
2-[[3-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075721
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122089023
2-[[3-(1-benzofuran-6-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122094518
2-[ethyl-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089582

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122093415) is 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2nc(C3CCOCC3)cs2)C1.
What is the InChIKey of 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is NPQQTFFDUGTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-2-21(9-15(22)23)13-7-12(8-13)18-16(24)20-17-19-14(10-26-17)11-3-5-25-6-4-11/h10-13H,2-9H2,1H3,(H,22,23)(H2,18,19,20,24).
What are the key properties of 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 382.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122093415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).