methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate

C16H15NO4 — CID 171865046

IUPACmethyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H15NO4/c1-21-16(20)15(19)14(18)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8,14-15,17-19H,1H3
InChIKeyJAOMGPXHBTXSAE-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.89
Rot. Bonds3

About methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate

methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate (PubChem CID 171865046) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
PubChem CID171865046
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H15NO4/c1-21-16(20)15(19)14(18)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8,14-15,17-19H,1H3
InChIKeyJAOMGPXHBTXSAE-UHFFFAOYSA-N
XLogP1.89
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-(9H-carbazol-3-yl)-3-chloro-2-oxopropanoate
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4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
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1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
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1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate
CID 171864848
ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate
CID 171898377
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651

Frequently Asked Questions

What is the IUPAC name of methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate (CID 171865046) is methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate?
The InChIKey is JAOMGPXHBTXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-16(20)15(19)14(18)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8,14-15,17-19H,1H3.
What are the key properties of methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate?
methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate has a molecular weight of 285.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).