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

C16H21NO3 — CID 104524836

IUPAC2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1COc2ccccc2C1N1CCCC1(C)C(=O)O
InChIInChI=1S/C16H21NO3/c1-11-10-20-13-7-4-3-6-12(13)14(11)17-9-5-8-16(17,2)15(18)19/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyAHDKXBHXUCOOQN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.70
Rot. Bonds2

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

2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 104524836) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID104524836
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1COc2ccccc2C1N1CCCC1(C)C(=O)O
InChIInChI=1S/C16H21NO3/c1-11-10-20-13-7-4-3-6-12(13)14(11)17-9-5-8-16(17,2)15(18)19/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyAHDKXBHXUCOOQN-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595372
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
[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
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66395509
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 79933505

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid (CID 104524836) is 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid is CC1COc2ccccc2C1N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is AHDKXBHXUCOOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-10-20-13-7-4-3-6-12(13)14(11)17-9-5-8-16(17,2)15(18)19/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104524836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).