methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate

C17H19NO3 — CID 57184881

IUPACmethyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)CC1C=Cc2ccccc21
InChIInChI=1S/C17H19NO3/c1-21-17(20)15-7-4-10-18(15)16(19)11-13-9-8-12-5-2-3-6-14(12)13/h2-3,5-6,8-9,13,15H,4,7,10-11H2,1H3/t13?,15-/m0/s1
InChIKeyCGUSCAGAODXPFZ-WUJWULDRSA-N
MW285.34 g/mol
LogP2.35
Rot. Bonds3

About methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 57184881) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID57184881
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)CC1C=Cc2ccccc21
InChIInChI=1S/C17H19NO3/c1-21-17(20)15-7-4-10-18(15)16(19)11-13-9-8-12-5-2-3-6-14(12)13/h2-3,5-6,8-9,13,15H,4,7,10-11H2,1H3/t13?,15-/m0/s1
InChIKeyCGUSCAGAODXPFZ-WUJWULDRSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 57205624
methyl (2S)-1-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 70047932
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-[2-(2-chloro-4-phenylphenoxy)acetyl]pyrrolidine-2-carboxylate
CID 112809208
methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 101252038

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 57184881) is methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)CC1C=Cc2ccccc21.
What is the InChIKey of methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is CGUSCAGAODXPFZ-WUJWULDRSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-17(20)15-7-4-10-18(15)16(19)11-13-9-8-12-5-2-3-6-14(12)13/h2-3,5-6,8-9,13,15H,4,7,10-11H2,1H3/t13?,15-/m0/s1.
What are the key properties of methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-(1H-inden-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 57184881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).