2-propoxyethyl 5-amino-1H-indole-2-carboxylate

C14H18N2O3 — CID 107363371

IUPAC2-propoxyethyl 5-amino-1H-indole-2-carboxylate
SMILESCCCOCCOC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H18N2O3/c1-2-5-18-6-7-19-14(17)13-9-10-8-11(15)3-4-12(10)16-13/h3-4,8-9,16H,2,5-7,15H2,1H3
InChIKeyVVYRTCMYMFRVEY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.33
Rot. Bonds6

About 2-propoxyethyl 5-amino-1H-indole-2-carboxylate

2-propoxyethyl 5-amino-1H-indole-2-carboxylate (PubChem CID 107363371) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-propoxyethyl 5-amino-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl 5-amino-1H-indole-2-carboxylate
PubChem CID107363371
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-propoxyethyl 5-amino-1H-indole-2-carboxylate
SMILESCCCOCCOC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H18N2O3/c1-2-5-18-6-7-19-14(17)13-9-10-8-11(15)3-4-12(10)16-13/h3-4,8-9,16H,2,5-7,15H2,1H3
InChIKeyVVYRTCMYMFRVEY-UHFFFAOYSA-N
XLogP2.33
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylbutyl 5-amino-1H-indole-2-carboxylate
CID 107363380
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate
CID 107363338
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
3-methylbutan-2-yl 5-amino-1H-indole-2-carboxylate
CID 107363382
ethyl 5-(4-aminophenyl)sulfanyl-1H-indole-2-carboxylate
CID 10247192
2-propoxyethyl 5-amino-2-chlorobenzoate
CID 63686521
1-phenylethyl 5-amino-1H-indole-2-carboxylate
CID 107363350
2-propoxyethyl 4-amino-2-fluorobenzoate
CID 55231855
2-propoxyethyl 5-amino-2-bromobenzoate
CID 63686907
butyl 1H-indole-2-carboxylate
CID 54052397
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 5-amino-1H-indole-2-carboxylate?
The IUPAC name of 2-propoxyethyl 5-amino-1H-indole-2-carboxylate (CID 107363371) is 2-propoxyethyl 5-amino-1H-indole-2-carboxylate.
What is the SMILES notation for 2-propoxyethyl 5-amino-1H-indole-2-carboxylate?
The canonical SMILES for 2-propoxyethyl 5-amino-1H-indole-2-carboxylate is CCCOCCOC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 2-propoxyethyl 5-amino-1H-indole-2-carboxylate?
The InChIKey is VVYRTCMYMFRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-5-18-6-7-19-14(17)13-9-10-8-11(15)3-4-12(10)16-13/h3-4,8-9,16H,2,5-7,15H2,1H3.
What are the key properties of 2-propoxyethyl 5-amino-1H-indole-2-carboxylate?
2-propoxyethyl 5-amino-1H-indole-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 5-amino-1H-indole-2-carboxylate is sourced from PubChem (CID 107363371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).