methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate

C15H18N2O3 — CID 75485035

IUPACmethyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C15H18N2O3/c1-17-9-8-11-6-7-12(10-13(11)17)16-14(18)4-3-5-15(19)20-2/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyIXLLJJVNFVRPCP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.46
Rot. Bonds5

About methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate

methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate (PubChem CID 75485035) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
PubChem CID75485035
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C15H18N2O3/c1-17-9-8-11-6-7-12(10-13(11)17)16-14(18)4-3-5-15(19)20-2/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyIXLLJJVNFVRPCP-UHFFFAOYSA-N
XLogP2.46
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
CID 22577323
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide
CID 136526633
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
methyl 2-[(1-methylindol-5-yl)amino]acetate
CID 82539684
N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 122143234
1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
CID 126791651
N-(3-hydroxy-2-methylpropyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490459
N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490510
[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 170645764

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate (CID 75485035) is methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate is COC(=O)CCCC(=O)Nc1ccc2ccn(C)c2c1.
What is the InChIKey of methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate?
The InChIKey is IXLLJJVNFVRPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-9-8-11-6-7-12(10-13(11)17)16-14(18)4-3-5-15(19)20-2/h6-10H,3-5H2,1-2H3,(H,16,18).
What are the key properties of methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate?
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate has a molecular weight of 274.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 75485035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).