2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

C20H28N4O4 — CID 122075709

IUPAC2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(N3CCCCC3=O)c2)C1
InChIInChI=1S/C20H28N4O4/c1-2-23(13-19(26)27)17-11-15(12-17)22-20(28)21-14-6-5-7-16(10-14)24-9-4-3-8-18(24)25/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3,(H,26,27)(H2,21,22,28)
InChIKeyHVVZUYQWENRKGR-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.26
Rot. Bonds7

About 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122075709) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122075709
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(N3CCCCC3=O)c2)C1
InChIInChI=1S/C20H28N4O4/c1-2-23(13-19(26)27)17-11-15(12-17)22-20(28)21-14-6-5-7-16(10-14)24-9-4-3-8-18(24)25/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3,(H,26,27)(H2,21,22,28)
InChIKeyHVVZUYQWENRKGR-UHFFFAOYSA-N
XLogP2.26
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]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-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092580
2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122093398
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[ethyl-[3-[(2-methyl-1-oxoisoquinolin-7-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093141
2-[[3-(1-benzofuran-6-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122094518
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34412666
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41380914

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122075709) is 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(N3CCCCC3=O)c2)C1.
What is the InChIKey of 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is HVVZUYQWENRKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-2-23(13-19(26)27)17-11-15(12-17)22-20(28)21-14-6-5-7-16(10-14)24-9-4-3-8-18(24)25/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3,(H,26,27)(H2,21,22,28).
What are the key properties of 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 388.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122075709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).