methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate

C15H20N2O2 — CID 58875117

IUPACmethyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(CCC(C)(C)N)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-15(2,16)8-9-17-10-12(14(18)19-3)11-6-4-5-7-13(11)17/h4-7,10H,8-9,16H2,1-3H3
InChIKeyUQQJCXSEOYIRNS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds4

About methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate

methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate (PubChem CID 58875117) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
PubChem CID58875117
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(CCC(C)(C)N)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-15(2,16)8-9-17-10-12(14(18)19-3)11-6-4-5-7-13(11)17/h4-7,10H,8-9,16H2,1-3H3
InChIKeyUQQJCXSEOYIRNS-UHFFFAOYSA-N
XLogP2.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
CID 69444934
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methoxymethyl 1-pent-4-ynylindole-3-carboxylate
CID 89047455
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
1-(3-hydroxy-3-methylbutyl)indole-3-carbaldehyde
CID 79355612

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate (CID 58875117) is methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate is COC(=O)c1cn(CCC(C)(C)N)c2ccccc12.
What is the InChIKey of methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate?
The InChIKey is UQQJCXSEOYIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,16)8-9-17-10-12(14(18)19-3)11-6-4-5-7-13(11)17/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate?
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate is sourced from PubChem (CID 58875117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).