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

C13H19N3O3 — CID 65226552

IUPAC2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNc1nccn(C2CC2)c1=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-8(2)10(13(18)19)7-15-11-12(17)16(6-5-14-11)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYPQRWPMRCVFQIV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds6

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

2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65226552) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
PubChem CID65226552
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNc1nccn(C2CC2)c1=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-8(2)10(13(18)19)7-15-11-12(17)16(6-5-14-11)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYPQRWPMRCVFQIV-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid
CID 55155061
2-Cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 55155062
2-Cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
CID 55155252
4-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 55156017
3-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]butanoic acid
CID 55156209
3-[(4-Tert-butyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 55156210
2-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55156400
3-[(4-Cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
CID 55157362
3-Methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoic acid
CID 55157550
3-Methyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55157551
2-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
CID 55157743
3-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 62938370

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid (CID 65226552) is 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CNc1nccn(C2CC2)c1=O)C(=O)O.
What is the InChIKey of 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is YPQRWPMRCVFQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)10(13(18)19)7-15-11-12(17)16(6-5-14-11)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid?
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).