ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate

C12H14N2O4 — CID 171866255

IUPACethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H14N2O4/c1-2-18-12(17)11(16)10(15)7-3-4-9-8(5-7)6-13-14-9/h3-6,10-11,15-16H,2H2,1H3,(H,13,14)
InChIKeyNHEKYPOICFQMQY-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.52
Rot. Bonds4

About ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate

ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate (PubChem CID 171866255) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
PubChem CID171866255
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Nameethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H14N2O4/c1-2-18-12(17)11(16)10(15)7-3-4-9-8(5-7)6-13-14-9/h3-6,10-11,15-16H,2H2,1H3,(H,13,14)
InChIKeyNHEKYPOICFQMQY-UHFFFAOYSA-N
XLogP0.52
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
ethyl 2,3-dihydroxy-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoate
CID 171866331
tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate
CID 170832269
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
(1R)-1-(1H-indazol-5-yl)-2-methylpropan-1-amine
CID 130948805
ethyl 3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butanoate
CID 171898147
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 3-(2-amino-1,3-benzothiazol-5-yl)-2,3-dihydroxypropanoate
CID 171866300

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate (CID 171866255) is ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate is CCOC(=O)C(O)C(O)c1ccc2[nH]ncc2c1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate?
The InChIKey is NHEKYPOICFQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-18-12(17)11(16)10(15)7-3-4-9-8(5-7)6-13-14-9/h3-6,10-11,15-16H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate?
ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate has a molecular weight of 250.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate is sourced from PubChem (CID 171866255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).