2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

C11H13N3O4 — CID 43655883

IUPAC2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H13N3O4/c15-9-4-12-8(3-13-9)11(18)14(6-10(16)17)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,16,17)
InChIKeyALGFMIUSNVOBLC-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.29
Rot. Bonds5

About 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 43655883) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID43655883
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H13N3O4/c15-9-4-12-8(3-13-9)11(18)14(6-10(16)17)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,16,17)
InChIKeyALGFMIUSNVOBLC-UHFFFAOYSA-N
XLogP-0.29
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521411
2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 54925454

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 43655883) is 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is ALGFMIUSNVOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9-4-12-8(3-13-9)11(18)14(6-10(16)17)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 251.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).