2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid

C11H19N3O3 — CID 103572196

IUPAC2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1cc(C(NCCOC)C(=O)O)cn1
InChIInChI=1S/C11H19N3O3/c1-3-5-14-8-9(7-13-14)10(11(15)16)12-4-6-17-2/h7-8,10,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyQNEKESYCTDUAFQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.65
Rot. Bonds8

About 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid

2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid (PubChem CID 103572196) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
PubChem CID103572196
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1cc(C(NCCOC)C(=O)O)cn1
InChIInChI=1S/C11H19N3O3/c1-3-5-14-8-9(7-13-14)10(11(15)16)12-4-6-17-2/h7-8,10,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyQNEKESYCTDUAFQ-UHFFFAOYSA-N
XLogP0.65
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.65
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

2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572149
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
CID 79583704
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid
CID 122037992
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
ethyl 2-(3-azidopropylamino)-2-(1-propylpyrazol-4-yl)acetate
CID 103572230
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289236
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572064
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid (CID 103572196) is 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid is CCCn1cc(C(NCCOC)C(=O)O)cn1.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid?
The InChIKey is QNEKESYCTDUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-5-14-8-9(7-13-14)10(11(15)16)12-4-6-17-2/h7-8,10,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid?
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid has a molecular weight of 241.29 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 103572196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).