(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C16H17NO3 — CID 57205624

IUPAC(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CC1C=Cc2ccccc21
InChIInChI=1S/C16H17NO3/c18-15(17-9-3-6-14(17)16(19)20)10-12-8-7-11-4-1-2-5-13(11)12/h1-2,4-5,7-8,12,14H,3,6,9-10H2,(H,19,20)/t12?,14-/m0/s1
InChIKeyAIYPCUUSVYVJHU-PYMCNQPYSA-N
MW271.32 g/mol
LogP2.26
Rot. Bonds3

About (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 57205624) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID57205624
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CC1C=Cc2ccccc21
InChIInChI=1S/C16H17NO3/c18-15(17-9-3-6-14(17)16(19)20)10-12-8-7-11-4-1-2-5-13(11)12/h1-2,4-5,7-8,12,14H,3,6,9-10H2,(H,19,20)/t12?,14-/m0/s1
InChIKeyAIYPCUUSVYVJHU-PYMCNQPYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 57184881
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(2R)-1-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371436
(2R)-1-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 124702915
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264
(2R)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 54196372
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78922340
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
(2R)-1-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54494835

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 57205624) is (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CC1C=Cc2ccccc21.
What is the InChIKey of (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AIYPCUUSVYVJHU-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(17-9-3-6-14(17)16(19)20)10-12-8-7-11-4-1-2-5-13(11)12/h1-2,4-5,7-8,12,14H,3,6,9-10H2,(H,19,20)/t12?,14-/m0/s1.
What are the key properties of (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 57205624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).