2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid

C12H19N3O4 — CID 114144238

IUPAC2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-7-9(8(2)15(3)14-7)5-11(16)13-6-10(19-4)12(17)18/h10H,5-6H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyKRGIJXDNBNIBRM-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.20
Rot. Bonds6

About 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid

2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 114144238) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
PubChem CID114144238
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-7-9(8(2)15(3)14-7)5-11(16)13-6-10(19-4)12(17)18/h10H,5-6H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyKRGIJXDNBNIBRM-UHFFFAOYSA-N
XLogP-0.20
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697775
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid (CID 114144238) is 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid is COC(CNC(=O)Cc1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is KRGIJXDNBNIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-9(8(2)15(3)14-7)5-11(16)13-6-10(19-4)12(17)18/h10H,5-6H2,1-4H3,(H,13,16)(H,17,18).
What are the key properties of 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 114144238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).