1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid

C11H17N3O2 — CID 114528794

IUPAC1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCn1ccnc1CCNC1(C(=O)O)CCC1
InChIInChI=1S/C11H17N3O2/c1-14-8-7-12-9(14)3-6-13-11(10(15)16)4-2-5-11/h7-8,13H,2-6H2,1H3,(H,15,16)
InChIKeyHTWUIECVTRWAFK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.56
Rot. Bonds5

About 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid

1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 114528794) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID114528794
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCn1ccnc1CCNC1(C(=O)O)CCC1
InChIInChI=1S/C11H17N3O2/c1-14-8-7-12-9(14)3-6-13-11(10(15)16)4-2-5-11/h7-8,13H,2-6H2,1H3,(H,15,16)
InChIKeyHTWUIECVTRWAFK-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095
3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892261
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167978
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 114527749
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid (CID 114528794) is 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid is Cn1ccnc1CCNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HTWUIECVTRWAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-8-7-12-9(14)3-6-13-11(10(15)16)4-2-5-11/h7-8,13H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114528794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).