(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid

C15H17NO3 — CID 124610702

IUPAC(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C15H17NO3/c17-14(16-8-7-11(9-16)15(18)19)13-6-2-4-10-3-1-5-12(10)13/h2,4,6,11H,1,3,5,7-9H2,(H,18,19)/t11-/m0/s1
InChIKeyLDJWOGXCGYWKRE-NSHDSACASA-N
MW259.30 g/mol
LogP1.72
Rot. Bonds2

About (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid

(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124610702) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124610702
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C15H17NO3/c17-14(16-8-7-11(9-16)15(18)19)13-6-2-4-10-3-1-5-12(10)13/h2,4,6,11H,1,3,5,7-9H2,(H,18,19)/t11-/m0/s1
InChIKeyLDJWOGXCGYWKRE-NSHDSACASA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromene-8-carbonyl)piperidine-4-carboxylic acid
CID 154798587
1-(2,3-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030779
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
(3S,4S)-1-(2,3-dihydro-1H-indene-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949201
2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564206
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
(3S,4S)-1-(2,3-dihydro-1H-indene-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949200
(3S)-1-(2-chloro-3-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129393963
(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 124610702) is (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(C(=O)c2cccc3c2CCC3)C1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LDJWOGXCGYWKRE-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(16-8-7-11(9-16)15(18)19)13-6-2-4-10-3-1-5-12(10)13/h2,4,6,11H,1,3,5,7-9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).