methyl 3-(1H-indole-2-carbonylamino)pentanoate

C15H18N2O3 — CID 112533189

IUPACmethyl 3-(1H-indole-2-carbonylamino)pentanoate
SMILESCCC(CC(=O)OC)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H18N2O3/c1-3-11(9-14(18)20-2)16-15(19)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,17H,3,9H2,1-2H3,(H,16,19)
InChIKeyUQRMSAQSZTWEOZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.24
Rot. Bonds5

About methyl 3-(1H-indole-2-carbonylamino)pentanoate

methyl 3-(1H-indole-2-carbonylamino)pentanoate (PubChem CID 112533189) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(1H-indole-2-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indole-2-carbonylamino)pentanoate
PubChem CID112533189
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-(1H-indole-2-carbonylamino)pentanoate
SMILESCCC(CC(=O)OC)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H18N2O3/c1-3-11(9-14(18)20-2)16-15(19)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,17H,3,9H2,1-2H3,(H,16,19)
InChIKeyUQRMSAQSZTWEOZ-UHFFFAOYSA-N
XLogP2.24
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hex-5-yn-3-yl-1H-indole-2-carboxamide
CID 115647369
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
methyl (3S)-3-(1H-indol-2-yl)-3-phenylpropanoate
CID 102574001
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
methyl 3-[(5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 46549528
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indole-2-carbonylamino)pentanoate?
The IUPAC name of methyl 3-(1H-indole-2-carbonylamino)pentanoate (CID 112533189) is methyl 3-(1H-indole-2-carbonylamino)pentanoate.
What is the SMILES notation for methyl 3-(1H-indole-2-carbonylamino)pentanoate?
The canonical SMILES for methyl 3-(1H-indole-2-carbonylamino)pentanoate is CCC(CC(=O)OC)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of methyl 3-(1H-indole-2-carbonylamino)pentanoate?
The InChIKey is UQRMSAQSZTWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-11(9-14(18)20-2)16-15(19)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,17H,3,9H2,1-2H3,(H,16,19).
What are the key properties of methyl 3-(1H-indole-2-carbonylamino)pentanoate?
methyl 3-(1H-indole-2-carbonylamino)pentanoate has a molecular weight of 274.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indole-2-carbonylamino)pentanoate is sourced from PubChem (CID 112533189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).