(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid

C10H14N4O4 — CID 63026894

IUPAC(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C10H14N4O4/c15-6-7(9(16)17)12-10(18)14-4-3-13-2-1-11-8(13)5-14/h1-2,7,15H,3-6H2,(H,12,18)(H,16,17)/t7-/m0/s1
InChIKeyGMBWWDLSGCLLGU-ZETCQYMHSA-N
MW254.25 g/mol
LogP-1.15
Rot. Bonds3

About (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid

(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid (PubChem CID 63026894) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
PubChem CID63026894
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C10H14N4O4/c15-6-7(9(16)17)12-10(18)14-4-3-13-2-1-11-8(13)5-14/h1-2,7,15H,3-6H2,(H,12,18)(H,16,17)/t7-/m0/s1
InChIKeyGMBWWDLSGCLLGU-ZETCQYMHSA-N
XLogP-1.15
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
CID 63716634
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 55143467
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-methylsulfanylbutanoic acid
CID 63026560
(2R)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 80756403
(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 63026749
N-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115642001
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
CID 64582931
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 63026887
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 106315919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid (CID 63026894) is (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid is O=C(O)[C@H](CO)NC(=O)N1CCn2ccnc2C1.
What is the InChIKey of (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid?
The InChIKey is GMBWWDLSGCLLGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-6-7(9(16)17)12-10(18)14-4-3-13-2-1-11-8(13)5-14/h1-2,7,15H,3-6H2,(H,12,18)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid?
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid has a molecular weight of 254.25 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 63026894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).