5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid

C15H19NO3 — CID 104771276

IUPAC5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(CC2CCOc3ccccc32)N1
InChIInChI=1S/C15H19NO3/c17-15(18)13-6-5-11(16-13)9-10-7-8-19-14-4-2-1-3-12(10)14/h1-4,10-11,13,16H,5-9H2,(H,17,18)
InChIKeyLNTWFUPGRBPSGC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.15
Rot. Bonds3

About 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid

5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 104771276) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID104771276
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(CC2CCOc3ccccc32)N1
InChIInChI=1S/C15H19NO3/c17-15(18)13-6-5-11(16-13)9-10-7-8-19-14-4-2-1-3-12(10)14/h1-4,10-11,13,16H,5-9H2,(H,17,18)
InChIKeyLNTWFUPGRBPSGC-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclobutane-1-carboxylic acid
CID 104772491
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
CID 106471269
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid (CID 104771276) is 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(CC2CCOc3ccccc32)N1.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LNTWFUPGRBPSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)13-6-5-11(16-13)9-10-7-8-19-14-4-2-1-3-12(10)14/h1-4,10-11,13,16H,5-9H2,(H,17,18).
What are the key properties of 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid?
5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104771276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).