2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid

C12H18N4O4 — CID 107434236

IUPAC2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCc1cc(C(=O)N(CC(N)=O)CC(=O)O)n(CC)n1
InChIInChI=1S/C12H18N4O4/c1-3-8-5-9(16(4-2)14-8)12(20)15(6-10(13)17)7-11(18)19/h5H,3-4,6-7H2,1-2H3,(H2,13,17)(H,18,19)
InChIKeyALFMONIXCWAIHH-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.52
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid (PubChem CID 107434236) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid
PubChem CID107434236
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCc1cc(C(=O)N(CC(N)=O)CC(=O)O)n(CC)n1
InChIInChI=1S/C12H18N4O4/c1-3-8-5-9(16(4-2)14-8)12(20)15(6-10(13)17)7-11(18)19/h5H,3-4,6-7H2,1-2H3,(H2,13,17)(H,18,19)
InChIKeyALFMONIXCWAIHH-UHFFFAOYSA-N
XLogP-0.52
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid (CID 107434236) is 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid is CCc1cc(C(=O)N(CC(N)=O)CC(=O)O)n(CC)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid?
The InChIKey is ALFMONIXCWAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-8-5-9(16(4-2)14-8)12(20)15(6-10(13)17)7-11(18)19/h5H,3-4,6-7H2,1-2H3,(H2,13,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 107434236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).