1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C15H22ClNO3 — CID 119909083

IUPAC1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC(C)Oc1ccccc1CN1CCCC1C(=O)O.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-11(2)19-14-8-4-3-6-12(14)10-16-9-5-7-13(16)15(17)18;/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyIRHXHGCINISJKX-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.94
Rot. Bonds5

About 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119909083) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119909083
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC(C)Oc1ccccc1CN1CCCC1C(=O)O.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-11(2)19-14-8-4-3-6-12(14)10-16-9-5-7-13(16)15(17)18;/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyIRHXHGCINISJKX-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371810
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103045
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
(2R)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 163320874
(2S)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910425
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119909083) is 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is CC(C)Oc1ccccc1CN1CCCC1C(=O)O.Cl.
What is the InChIKey of 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is IRHXHGCINISJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-11(2)19-14-8-4-3-6-12(14)10-16-9-5-7-13(16)15(17)18;/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119909083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).