(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid

C11H15N5O4 — CID 63716634

IUPAC(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)N1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H15N5O4/c12-8(17)5-7(10(18)19)14-11(20)16-4-3-15-2-1-13-9(15)6-16/h1-2,7H,3-6H2,(H2,12,17)(H,14,20)(H,18,19)/t7-/m0/s1
InChIKeyGAWMPOOBFUEZLB-ZETCQYMHSA-N
MW281.27 g/mol
LogP-1.26
Rot. Bonds4

About (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid

(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid (PubChem CID 63716634) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
PubChem CID63716634
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)N1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H15N5O4/c12-8(17)5-7(10(18)19)14-11(20)16-4-3-15-2-1-13-9(15)6-16/h1-2,7H,3-6H2,(H2,12,17)(H,14,20)(H,18,19)/t7-/m0/s1
InChIKeyGAWMPOOBFUEZLB-ZETCQYMHSA-N
XLogP-1.26
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid (CID 63716634) is (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)N1CCn2ccnc2C1)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid?
The InChIKey is GAWMPOOBFUEZLB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-8(17)5-7(10(18)19)14-11(20)16-4-3-15-2-1-13-9(15)6-16/h1-2,7H,3-6H2,(H2,12,17)(H,14,20)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid?
(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid has a molecular weight of 281.27 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid is sourced from PubChem (CID 63716634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).