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

C10H15N3O2 — CID 114528769

IUPAC1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
SMILESCn1ccnc1CCNC1(C(=O)O)CC1
InChIInChI=1S/C10H15N3O2/c1-13-7-6-11-8(13)2-5-12-10(3-4-10)9(14)15/h6-7,12H,2-5H2,1H3,(H,14,15)
InChIKeyUFWXOFKNICHLSX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.17
Rot. Bonds5

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

1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid (PubChem CID 114528769) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
PubChem CID114528769
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
SMILESCn1ccnc1CCNC1(C(=O)O)CC1
InChIInChI=1S/C10H15N3O2/c1-13-7-6-11-8(13)2-5-12-10(3-4-10)9(14)15/h6-7,12H,2-5H2,1H3,(H,14,15)
InChIKeyUFWXOFKNICHLSX-UHFFFAOYSA-N
XLogP0.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
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-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
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
1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452666
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid (CID 114528769) is 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid is Cn1ccnc1CCNC1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid?
The InChIKey is UFWXOFKNICHLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-7-6-11-8(13)2-5-12-10(3-4-10)9(14)15/h6-7,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid?
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.17, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114528769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).