methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate

C15H14N2O2 — CID 116985874

IUPACmethyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
SMILESCOC(=O)CCc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C15H14N2O2/c1-19-15(18)5-3-10-2-4-13-11(8-10)12-9-16-7-6-14(12)17-13/h2,4,6-9,17H,3,5H2,1H3
InChIKeyYWPMATSSPFNFRT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.82
Rot. Bonds3

About methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate

methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate (PubChem CID 116985874) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
PubChem CID116985874
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
SMILESCOC(=O)CCc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C15H14N2O2/c1-19-15(18)5-3-10-2-4-13-11(8-10)12-9-16-7-6-14(12)17-13/h2,4,6-9,17H,3,5H2,1H3
InChIKeyYWPMATSSPFNFRT-UHFFFAOYSA-N
XLogP2.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
CID 116985878
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
methyl 3-pyridin-4-ylpropanoate
CID 3704115
4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol
CID 142517237
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
CID 69181166
1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one
CID 155584935
methyl 3-(8-aminonaphthalen-2-yl)propanoate
CID 167495420
methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
CID 176610283
2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid
CID 116985921

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate?
The IUPAC name of methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate (CID 116985874) is methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate.
What is the SMILES notation for methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate?
The canonical SMILES for methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate is COC(=O)CCc1ccc2[nH]c3ccncc3c2c1.
What is the InChIKey of methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate?
The InChIKey is YWPMATSSPFNFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-15(18)5-3-10-2-4-13-11(8-10)12-9-16-7-6-14(12)17-13/h2,4,6-9,17H,3,5H2,1H3.
What are the key properties of methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate?
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate has a molecular weight of 254.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate is sourced from PubChem (CID 116985874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).