2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid

C12H19N3O3 — CID 65226468

IUPAC2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
SMILESCCn1ccnc(NCC(C(=O)O)C(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-15-6-5-13-10(11(15)16)14-7-9(8(2)3)12(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,13,14)(H,17,18)
InChIKeyMJKBZNZINMNBFE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.03
Rot. Bonds6

About 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid

2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65226468) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
PubChem CID65226468
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
SMILESCCn1ccnc(NCC(C(=O)O)C(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-15-6-5-13-10(11(15)16)14-7-9(8(2)3)12(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,13,14)(H,17,18)
InChIKeyMJKBZNZINMNBFE-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid with MolForge

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Related Compounds

3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226552
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
CID 65226260
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid (CID 65226468) is 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid is CCn1ccnc(NCC(C(=O)O)C(C)C)c1=O.
What is the InChIKey of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is MJKBZNZINMNBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-15-6-5-13-10(11(15)16)14-7-9(8(2)3)12(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,13,14)(H,17,18).
What are the key properties of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65226468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).