3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid

C11H13N3O4 — CID 60844015

IUPAC3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1c[nH]c(=O)cn1)C1CC1
InChIInChI=1S/C11H13N3O4/c15-9-6-12-8(5-13-9)11(18)14(7-1-2-7)4-3-10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)
InChIKeyKDYRNBTUVOFLRW-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.15
Rot. Bonds5

About 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid

3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 60844015) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID60844015
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1c[nH]c(=O)cn1)C1CC1
InChIInChI=1S/C11H13N3O4/c15-9-6-12-8(5-13-9)11(18)14(7-1-2-7)4-3-10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)
InChIKeyKDYRNBTUVOFLRW-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499
(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
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43151790
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43361018
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552
3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522085
2-[cyclopropylmethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 43655883
methyl 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 54898781
2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 54925454

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 60844015) is 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1c[nH]c(=O)cn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is KDYRNBTUVOFLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9-6-12-8(5-13-9)11(18)14(7-1-2-7)4-3-10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17).
What are the key properties of 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 251.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60844015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).