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

C16H18ClNO2 — CID 53398043

IUPAC2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Cc2cccc3ccccc23)CCCN1
InChIInChI=1S/C16H17NO2.ClH/c18-15(19)16(9-4-10-17-16)11-13-7-3-6-12-5-1-2-8-14(12)13;/h1-3,5-8,17H,4,9-11H2,(H,18,19);1H
InChIKeyGRQIHOFBGXIZHC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.01
Rot. Bonds3

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

2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 53398043) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID53398043
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Cc2cccc3ccccc23)CCCN1
InChIInChI=1S/C16H17NO2.ClH/c18-15(19)16(9-4-10-17-16)11-13-7-3-6-12-5-1-2-8-14(12)13;/h1-3,5-8,17H,4,9-11H2,(H,18,19);1H
InChIKeyGRQIHOFBGXIZHC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Naphthyl-L-alanine
CID 2724883
(4S)-4-Phenyl-L-proline
CID 12805582
2-[(2-Naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid
CID 44601509
(2S,3S,4S)-4-(1-Biphenyl-3-yl-vinyl)-3-carboxymethyl-pyrrolidine-2-carboxylic acid
CID 10498120
(2S)-1-[(2S)-2-[(1-carboxy-3-naphthalen-1-ylpropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 44316863
1-[2-[(1-Carboxy-3-naphthalen-1-ylpropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 44337754
2-[(2-Naphthalen-2-ylacetyl)amino]octanoic acid
CID 44601510
(2S,4S)-4-[(3-ethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 54583759
1-Naphthylalanine
CID 99505
1-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-ethyl-, hydrochloride
CID 22868
N-Acetyl-3-naphth-2-yl-L-alanine
CID 723249
(2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 2761991

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 53398043) is 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1(Cc2cccc3ccccc23)CCCN1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is GRQIHOFBGXIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c18-15(19)16(9-4-10-17-16)11-13-7-3-6-12-5-1-2-8-14(12)13;/h1-3,5-8,17H,4,9-11H2,(H,18,19);1H.
What are the key properties of 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).