2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid

C10H17N3O3 — CID 79583704

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1cnn(C)c1C
InChIInChI=1S/C10H17N3O3/c1-7-8(6-12-13(7)2)9(10(14)15)11-4-5-16-3/h6,9,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyGRMDCXCPTGYALV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.09
Rot. Bonds6

About 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid

2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid (PubChem CID 79583704) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
PubChem CID79583704
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1cnn(C)c1C
InChIInChI=1S/C10H17N3O3/c1-7-8(6-12-13(7)2)9(10(14)15)11-4-5-16-3/h6,9,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyGRMDCXCPTGYALV-UHFFFAOYSA-N
XLogP0.09
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584636
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584167
methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(prop-2-ynylamino)acetate
CID 79583513
2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
CID 62539805
N-[(1,5-dimethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 79584469
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
2-[2-(diethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584534
2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
CID 84748283
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid (CID 79583704) is 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid is COCCNC(C(=O)O)c1cnn(C)c1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid?
The InChIKey is GRMDCXCPTGYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-8(6-12-13(7)2)9(10(14)15)11-4-5-16-3/h6,9,11H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid?
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid is sourced from PubChem (CID 79583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).