(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide

C12H20N4O2 — CID 97275416

IUPAC(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)N(C)CC(N)=O
InChIInChI=1S/C12H20N4O2/c1-8(2)11-14-5-6-16(11)9(3)12(18)15(4)7-10(13)17/h5-6,8-9H,7H2,1-4H3,(H2,13,17)/t9-/m1/s1
InChIKeyOEIRKZSDDQLVSH-SECBINFHSA-N
MW252.32 g/mol
LogP0.51
Rot. Bonds5

About (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide

(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 97275416) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID97275416
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)N(C)CC(N)=O
InChIInChI=1S/C12H20N4O2/c1-8(2)11-14-5-6-16(11)9(3)12(18)15(4)7-10(13)17/h5-6,8-9H,7H2,1-4H3,(H2,13,17)/t9-/m1/s1
InChIKeyOEIRKZSDDQLVSH-SECBINFHSA-N
XLogP0.51
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 97275416) is (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1[C@H](C)C(=O)N(C)CC(N)=O.
What is the InChIKey of (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is OEIRKZSDDQLVSH-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)11-14-5-6-16(11)9(3)12(18)15(4)7-10(13)17/h5-6,8-9H,7H2,1-4H3,(H2,13,17)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 97275416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).