2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide

C12H20N4O — CID 61212990

IUPAC2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
SMILESCn1ccnc1CCNC(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H20N4O/c1-12(13,9-3-4-9)11(17)15-6-5-10-14-7-8-16(10)2/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyCXLCOCUCYAZHPY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide

2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide (PubChem CID 61212990) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
PubChem CID61212990
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
SMILESCn1ccnc1CCNC(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H20N4O/c1-12(13,9-3-4-9)11(17)15-6-5-10-14-7-8-16(10)2/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyCXLCOCUCYAZHPY-UHFFFAOYSA-N
XLogP0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 61461071
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide
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1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
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tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 103715474
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79388870
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CID 65266755
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
3-cyclopropyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 82003366

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide (CID 61212990) is 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide is Cn1ccnc1CCNC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
The InChIKey is CXLCOCUCYAZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(13,9-3-4-9)11(17)15-6-5-10-14-7-8-16(10)2/h7-9H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 61212990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).