ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate

C18H19NO4 — CID 171898377

IUPACethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C18H19NO4/c1-2-23-17(21)10-16(20)18(22)11-7-8-13-12-5-3-4-6-14(12)19-15(13)9-11/h3-9,16,18-20,22H,2,10H2,1H3
InChIKeyUWLVVIWZSRUICF-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.67
Rot. Bonds5

About ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate

ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate (PubChem CID 171898377) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate
PubChem CID171898377
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C18H19NO4/c1-2-23-17(21)10-16(20)18(22)11-7-8-13-12-5-3-4-6-14(12)19-15(13)9-11/h3-9,16,18-20,22H,2,10H2,1H3
InChIKeyUWLVVIWZSRUICF-UHFFFAOYSA-N
XLogP2.67
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9H-carbazol-2-yl)-3,4-dihydroxybutanamide
CID 171900169
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl 4-(1,3-dioxo-2-benzofuran-5-yl)-3,4-dihydroxybutanoate
CID 171898129
ethyl 3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butanoate
CID 171898147
4-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-2-methylbenzoic acid
CID 171897684
methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
CID 171865046
ethyl 4-(4-bromo-3-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898467
ethyl 4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171896907
ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate
CID 171897631
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250
ethyl 3,4-dihydroxy-4-(4-methylnaphthalen-1-yl)butanoate
CID 171898110
ethyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171897974

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate (CID 171898377) is ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate?
The InChIKey is UWLVVIWZSRUICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-23-17(21)10-16(20)18(22)11-7-8-13-12-5-3-4-6-14(12)19-15(13)9-11/h3-9,16,18-20,22H,2,10H2,1H3.
What are the key properties of ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate?
ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate has a molecular weight of 313.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171898377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).