5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid

C13H18N4O4 — CID 120685327

IUPAC5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCC(C)NC(=O)C(C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C13H18N4O4/c1-4-7(2)16-11(18)8(3)17-12(19)9-5-15-10(6-14-9)13(20)21/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyWSLNGMQVLOEYIT-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.21
Rot. Bonds6

About 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid

5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685327) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685327
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCC(C)NC(=O)C(C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C13H18N4O4/c1-4-7(2)16-11(18)8(3)17-12(19)9-5-15-10(6-14-9)13(20)21/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyWSLNGMQVLOEYIT-UHFFFAOYSA-N
XLogP0.21
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685710
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
5-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685628
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685745

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 120685327) is 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid is CCC(C)NC(=O)C(C)NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WSLNGMQVLOEYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-4-7(2)16-11(18)8(3)17-12(19)9-5-15-10(6-14-9)13(20)21/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).