1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid

C15H19NO3 — CID 104524796

IUPAC1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1COc2ccccc2C1N1CCCC1C(=O)O
InChIInChI=1S/C15H19NO3/c1-10-9-19-13-7-3-2-5-11(13)14(10)16-8-4-6-12(16)15(17)18/h2-3,5,7,10,12,14H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyJUFLBZKARNRJDH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid

1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 104524796) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID104524796
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1COc2ccccc2C1N1CCCC1C(=O)O
InChIInChI=1S/C15H19NO3/c1-10-9-19-13-7-3-2-5-11(13)14(10)16-8-4-6-12(16)15(17)18/h2-3,5,7,10,12,14H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyJUFLBZKARNRJDH-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524836
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid
CID 81131448
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
CID 104524556
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
1-(2,3-dihydro-1-benzofuran-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036122
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 65056165
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid (CID 104524796) is 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid is CC1COc2ccccc2C1N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is JUFLBZKARNRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-9-19-13-7-3-2-5-11(13)14(10)16-8-4-6-12(16)15(17)18/h2-3,5,7,10,12,14H,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104524796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).