1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C16H19NO3 — CID 79363618

IUPAC1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO3/c1-10-14(16(19)20)7-8-17(10)15(18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,14H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySDQRELSANOWXCM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79363618) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79363618
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO3/c1-10-14(16(19)20)7-8-17(10)15(18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,14H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySDQRELSANOWXCM-UHFFFAOYSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(2R,3R)-2-methyl-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122114947
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
2-methyl-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 79372032
2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2R,3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114768
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371055

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79363618) is 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SDQRELSANOWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-14(16(19)20)7-8-17(10)15(18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,14H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79363618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).