4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride

C16H18ClNO2 — CID 53398246

IUPAC4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(Cc2cccc3ccccc23)CN1
InChIInChI=1S/C16H17NO2.ClH/c18-16(19)15-9-11(10-17-15)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-7,11,15,17H,8-10H2,(H,18,19);1H
InChIKeyYOXIJMDLCCIUPS-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.87
Rot. Bonds3

About 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride

4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 53398246) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID53398246
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(Cc2cccc3ccccc23)CN1
InChIInChI=1S/C16H17NO2.ClH/c18-16(19)15-9-11(10-17-15)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-7,11,15,17H,8-10H2,(H,18,19);1H
InChIKeyYOXIJMDLCCIUPS-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 53398246) is 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(Cc2cccc3ccccc23)CN1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is YOXIJMDLCCIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c18-16(19)15-9-11(10-17-15)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-7,11,15,17H,8-10H2,(H,18,19);1H.
What are the key properties of 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).