(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride

C17H20ClN3O2 — CID 120567464

IUPAC(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)[C@@H]1CCC(=O)N1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2.ClH/c18-10-15(20-17(22)14-7-8-16(21)19-14)13-6-5-11-3-1-2-4-12(11)9-13;/h1-6,9,14-15H,7-8,10,18H2,(H,19,21)(H,20,22);1H/t14-,15?;/m0./s1
InChIKeyXPIOXWNPNVGDLJ-QDVCFFRGSA-N
MW333.82 g/mol
LogP1.66
Rot. Bonds4

About (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120567464) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID120567464
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)[C@@H]1CCC(=O)N1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2.ClH/c18-10-15(20-17(22)14-7-8-16(21)19-14)13-6-5-11-3-1-2-4-12(11)9-13;/h1-6,9,14-15H,7-8,10,18H2,(H,19,21)(H,20,22);1H/t14-,15?;/m0./s1
InChIKeyXPIOXWNPNVGDLJ-QDVCFFRGSA-N
XLogP1.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
CID 155970724
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167942312
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120567823
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 120567464) is (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)[C@@H]1CCC(=O)N1)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XPIOXWNPNVGDLJ-QDVCFFRGSA-N. The full InChI is InChI=1S/C17H19N3O2.ClH/c18-10-15(20-17(22)14-7-8-16(21)19-14)13-6-5-11-3-1-2-4-12(11)9-13;/h1-6,9,14-15H,7-8,10,18H2,(H,19,21)(H,20,22);1H/t14-,15?;/m0./s1.
What are the key properties of (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120567464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).