3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid

C8H13N3O3 — CID 103256739

IUPAC3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
SMILESCOCC(Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-11-4-6(3-9-11)10-7(5-14-2)8(12)13/h3-4,7,10H,5H2,1-2H3,(H,12,13)
InChIKeyJZBNNPOVBVMXQL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.07
Rot. Bonds5

About 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid

3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid (PubChem CID 103256739) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
PubChem CID103256739
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
SMILESCOCC(Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-11-4-6(3-9-11)10-7(5-14-2)8(12)13/h3-4,7,10H,5H2,1-2H3,(H,12,13)
InChIKeyJZBNNPOVBVMXQL-UHFFFAOYSA-N
XLogP-0.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)amino]butanoic acid
CID 127020438
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 81078067
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid (CID 103256739) is 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid is COCC(Nc1cnn(C)c1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid?
The InChIKey is JZBNNPOVBVMXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11-4-6(3-9-11)10-7(5-14-2)8(12)13/h3-4,7,10H,5H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid?
3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid is sourced from PubChem (CID 103256739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).