2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid

C8H13N3O3 — CID 114556287

IUPAC2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
SMILESCCn1nccc1C(O)C(N)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-11-5(3-4-10-11)7(12)6(9)8(13)14/h3-4,6-7,12H,2,9H2,1H3,(H,13,14)
InChIKeyQMINOKJETHQVQK-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.65
Rot. Bonds4

About 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid

2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid (PubChem CID 114556287) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
PubChem CID114556287
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
SMILESCCn1nccc1C(O)C(N)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-11-5(3-4-10-11)7(12)6(9)8(13)14/h3-4,6-7,12H,2,9H2,1H3,(H,13,14)
InChIKeyQMINOKJETHQVQK-UHFFFAOYSA-N
XLogP-0.65
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic 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

1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
CID 114556106
1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol
CID 115798873
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
CID 63975901
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
(3S)-3-acetamido-3-(2-ethylpyrazol-3-yl)propanoic acid
CID 104939477
2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
CID 112575208
1-(2-ethylpyrazol-3-yl)but-3-en-1-amine
CID 116660396
(3-chloro-2-pyridinyl)-(2-ethylpyrazol-3-yl)methanol
CID 103443527

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid (CID 114556287) is 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid is CCn1nccc1C(O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid?
The InChIKey is QMINOKJETHQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-11-5(3-4-10-11)7(12)6(9)8(13)14/h3-4,6-7,12H,2,9H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid?
2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 114556287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).