2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid

C9H15N3O3 — CID 165486179

IUPAC2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid
SMILESCCOc1cnn(CC(C)(N)C(=O)O)c1
InChIInChI=1S/C9H15N3O3/c1-3-15-7-4-11-12(5-7)6-9(2,10)8(13)14/h4-5H,3,6,10H2,1-2H3,(H,13,14)
InChIKeySOFTWZZUSSPSRQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.08
Rot. Bonds5

About 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid

2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 165486179) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid
PubChem CID165486179
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid
SMILESCCOc1cnn(CC(C)(N)C(=O)O)c1
InChIInChI=1S/C9H15N3O3/c1-3-15-7-4-11-12(5-7)6-9(2,10)8(13)14/h4-5H,3,6,10H2,1-2H3,(H,13,14)
InChIKeySOFTWZZUSSPSRQ-UHFFFAOYSA-N
XLogP0.08
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxypyrazol-1-yl)acetaldehyde
CID 117124915
4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylbenzoic acid
CID 114274380
3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 81499103
5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114274001
1-tert-butyl-4-ethoxypyrazole;ethane
CID 162757233
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
(E)-3-[2-[(4-ethoxypyrazol-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 114274286
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanamide
CID 165475013
5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
CID 114273838
2-amino-5-(4-ethylpyrazol-1-yl)-2-methylpentanoic acid
CID 165495298
ethyl (E)-4-(1-ethylpyrazol-4-yl)oxybut-2-enoate
CID 116800100

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid (CID 165486179) is 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid is CCOc1cnn(CC(C)(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is SOFTWZZUSSPSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-15-7-4-11-12(5-7)6-9(2,10)8(13)14/h4-5H,3,6,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid?
2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 165486179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).