2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid

C12H18N4O3 — CID 63026740

IUPAC2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)N1CCn2ccnc2C1)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-12(2,10(17)18)14(3)11(19)16-7-6-15-5-4-13-9(15)8-16/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKeyRVQBMJNMXIHKFG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.61
Rot. Bonds2

About 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid

2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 63026740) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID63026740
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)N1CCn2ccnc2C1)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-12(2,10(17)18)14(3)11(19)16-7-6-15-5-4-13-9(15)8-16/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKeyRVQBMJNMXIHKFG-UHFFFAOYSA-N
XLogP0.61
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
CID 63026893
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 55143467
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382647
3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid
CID 63026888
ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate
CID 116538037
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63775078
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid
CID 63026728
(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 104903447
N-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115642001

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid (CID 63026740) is 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)N1CCn2ccnc2C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is RVQBMJNMXIHKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,10(17)18)14(3)11(19)16-7-6-15-5-4-13-9(15)8-16/h4-5H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid?
2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 63026740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).