(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid

C8H11N3O3 — CID 78972778

IUPAC(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14)10-7(12)6-3-4-9-11(6)2/h3-5H,1-2H3,(H,10,12)(H,13,14)/t5-/m1/s1
InChIKeyREILJHIGZZFLNZ-RXMQYKEDSA-N
MW197.19 g/mol
LogP-0.38
Rot. Bonds3

About (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid

(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 78972778) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID78972778
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14)10-7(12)6-3-4-9-11(6)2/h3-5H,1-2H3,(H,10,12)(H,13,14)/t5-/m1/s1
InChIKeyREILJHIGZZFLNZ-RXMQYKEDSA-N
XLogP-0.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (CID 78972778) is (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is REILJHIGZZFLNZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(8(13)14)10-7(12)6-3-4-9-11(6)2/h3-5H,1-2H3,(H,10,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78972778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).