2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid

C9H13N3O3 — CID 64582293

IUPAC2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1ccc(C)n1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6-3-4-12(11-6)5-8(9(14)15)10-7(2)13/h3-4,8H,5H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyHMDNNOITBZHMDK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.22
Rot. Bonds4

About 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid

2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid (PubChem CID 64582293) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid
PubChem CID64582293
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1ccc(C)n1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6-3-4-12(11-6)5-8(9(14)15)10-7(2)13/h3-4,8H,5H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyHMDNNOITBZHMDK-UHFFFAOYSA-N
XLogP-0.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19502021
2-acetamido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 64581304
2-acetamido-3-(benzimidazol-1-yl)propanoic acid
CID 64583290
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110226484
2-acetamido-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548377
2-acetamido-3-(3-methyl-2-oxoimidazol-1-yl)propanoic acid
CID 80579282
2-acetamido-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid
CID 64581096
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
CID 64582931
2-acetamido-3-(3-methylindol-1-yl)propanoic acid
CID 64581102
(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
CID 42552280
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid (CID 64582293) is 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid is CC(=O)NC(Cn1ccc(C)n1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid?
The InChIKey is HMDNNOITBZHMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-3-4-12(11-6)5-8(9(14)15)10-7(2)13/h3-4,8H,5H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid?
2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 64582293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).