2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid

C20H28N4O2 — CID 122042199

IUPAC2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(C)c2ccc(-n3ccnc3C)cc2)C1
InChIInChI=1S/C20H28N4O2/c1-4-23(13-20(25)26)19-11-17(12-19)22-14(2)16-5-7-18(8-6-16)24-10-9-21-15(24)3/h5-10,14,17,19,22H,4,11-13H2,1-3H3,(H,25,26)
InChIKeyKVOCMKBSJMYUPK-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.77
Rot. Bonds8

About 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid (PubChem CID 122042199) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid
PubChem CID122042199
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(C)c2ccc(-n3ccnc3C)cc2)C1
InChIInChI=1S/C20H28N4O2/c1-4-23(13-20(25)26)19-11-17(12-19)22-14(2)16-5-7-18(8-6-16)24-10-9-21-15(24)3/h5-10,14,17,19,22H,4,11-13H2,1-3H3,(H,25,26)
InChIKeyKVOCMKBSJMYUPK-UHFFFAOYSA-N
XLogP2.77
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[1-(4-pyridin-4-ylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122004710
3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
CID 119034753
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
2-[ethyl-[3-(imidazo[1,2-a]pyridin-5-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122042751
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[ethyl-[3-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122002450
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
2-[[3-[[4-(difluoromethyl)phenyl]methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122010152

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid (CID 122042199) is 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(C)c2ccc(-n3ccnc3C)cc2)C1.
What is the InChIKey of 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid?
The InChIKey is KVOCMKBSJMYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-23(13-20(25)26)19-11-17(12-19)22-14(2)16-5-7-18(8-6-16)24-10-9-21-15(24)3/h5-10,14,17,19,22H,4,11-13H2,1-3H3,(H,25,26).
What are the key properties of 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid has a molecular weight of 356.47 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).