methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate

C16H19NO2 — CID 11334378

IUPACmethyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C16H19NO2/c1-11(16(18)19-2)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3,5,7,9,11H,4,6,8,10H2,1-2H3/t11-/m1/s1
InChIKeyYBPXMDZMLARUOA-LLVKDONJSA-N
MW257.33 g/mol
LogP3.25
Rot. Bonds2

About methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate

methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate (PubChem CID 11334378) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
PubChem CID11334378
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C16H19NO2/c1-11(16(18)19-2)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3,5,7,9,11H,4,6,8,10H2,1-2H3/t11-/m1/s1
InChIKeyYBPXMDZMLARUOA-LLVKDONJSA-N
XLogP3.25
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]benzoic acid
CID 177008901
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile
CID 125469950
dimethyl 2-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)propanedioate
CID 11088358
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 66811845
(2-fluorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
CID 746851
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009
methyl 2-(3-methoxyindol-1-yl)propanoate
CID 162779328
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
methyl 9-[1-(benzenesulfonyl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 69164121
2-(4-chlorophenyl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 23831300
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
The IUPAC name of methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate (CID 11334378) is methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate is COC(=O)[C@@H](C)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
The InChIKey is YBPXMDZMLARUOA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(16(18)19-2)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3,5,7,9,11H,4,6,8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate has a molecular weight of 257.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate is sourced from PubChem (CID 11334378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).