methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate

C17H23NO3 — CID 43423746

IUPACmethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc2c(c1)CCC2)C(=O)OC
InChIInChI=1S/C17H23NO3/c1-4-10-17(2,16(20)21-3)18-15(19)14-9-8-12-6-5-7-13(12)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyWYECOVZCXCCPBS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate

methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate (PubChem CID 43423746) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
PubChem CID43423746
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc2c(c1)CCC2)C(=O)OC
InChIInChI=1S/C17H23NO3/c1-4-10-17(2,16(20)21-3)18-15(19)14-9-8-12-6-5-7-13(12)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyWYECOVZCXCCPBS-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
CID 49159358
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103824963
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
CID 103998421
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate
CID 94799774

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate (CID 43423746) is methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc2c(c1)CCC2)C(=O)OC.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate?
The InChIKey is WYECOVZCXCCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-10-17(2,16(20)21-3)18-15(19)14-9-8-12-6-5-7-13(12)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate?
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate has a molecular weight of 289.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate is sourced from PubChem (CID 43423746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).