(2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide

C9H14N4O2 — CID 124705754

IUPAC(2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C[C@@H]1C=NC=N1)NC(C)=O
InChIInChI=1S/C9H14N4O2/c1-6(14)13-8(9(15)10-2)3-7-4-11-5-12-7/h4-5,7-8H,3H2,1-2H3,(H,10,15)(H,13,14)/t7-,8-/m1/s1
InChIKeyARNPTEOSXJCYFD-HTQZYQBOSA-N
MW210.24 g/mol
LogP-0.89
Rot. Bonds4

About (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide

(2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide (PubChem CID 124705754) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide
PubChem CID124705754
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C[C@@H]1C=NC=N1)NC(C)=O
InChIInChI=1S/C9H14N4O2/c1-6(14)13-8(9(15)10-2)3-7-4-11-5-12-7/h4-5,7-8H,3H2,1-2H3,(H,10,15)(H,13,14)/t7-,8-/m1/s1
InChIKeyARNPTEOSXJCYFD-HTQZYQBOSA-N
XLogP-0.89
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropanoylamino)-3-(4H-imidazol-4-yl)propanoic acid
CID 11356564
(3S)-3-acetamido-4-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 134578735
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
CID 89275978
[3-acetamido-4-(methylamino)-4-oxobutyl]-methyl-oxophosphanium
CID 72538863
2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
CID 130374120
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide?
The IUPAC name of (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide (CID 124705754) is (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide is CNC(=O)[C@@H](C[C@@H]1C=NC=N1)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide?
The InChIKey is ARNPTEOSXJCYFD-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(14)13-8(9(15)10-2)3-7-4-11-5-12-7/h4-5,7-8H,3H2,1-2H3,(H,10,15)(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide?
(2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide has a molecular weight of 210.24 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[(4R)-4H-imidazol-4-yl]-N-methylpropanamide is sourced from PubChem (CID 124705754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).