1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C16H19NO3 — CID 82124051

IUPAC1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(c1ccc2c(c1)CCC2)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C16H19NO3/c1-10(17-9-14(16(19)20)8-15(17)18)12-6-5-11-3-2-4-13(11)7-12/h5-7,10,14H,2-4,8-9H2,1H3,(H,19,20)
InChIKeyVBRNNJLHYUMQSV-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.17
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82124051) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82124051
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(c1ccc2c(c1)CCC2)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C16H19NO3/c1-10(17-9-14(16(19)20)8-15(17)18)12-6-5-11-3-2-4-13(11)7-12/h5-7,10,14H,2-4,8-9H2,1H3,(H,19,20)
InChIKeyVBRNNJLHYUMQSV-UHFFFAOYSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82123538
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179
5-oxo-1-[1-(4-sulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 144786464
5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713164
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 168695684
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449924
4-[[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 124690839
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 124858174
methyl 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692613

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 82124051) is 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CC(c1ccc2c(c1)CCC2)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VBRNNJLHYUMQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(17-9-14(16(19)20)8-15(17)18)12-6-5-11-3-2-4-13(11)7-12/h5-7,10,14H,2-4,8-9H2,1H3,(H,19,20).
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82124051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).