(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride

C16H22ClN3O3 — CID 120784633

IUPAC(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)O1
InChIInChI=1S/C16H21N3O3.ClH/c17-10-13-6-7-14(22-13)16(21)18-11-3-1-4-12(9-11)19-8-2-5-15(19)20;/h1,3-4,9,13-14H,2,5-8,10,17H2,(H,18,21);1H/t13-,14+;/m1./s1
InChIKeyGGQOYLDCXDGFQV-DFQHDRSWSA-N
MW339.82 g/mol
LogP1.68
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120784633) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120784633
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)O1
InChIInChI=1S/C16H21N3O3.ClH/c17-10-13-6-7-14(22-13)16(21)18-11-3-1-4-12(9-11)19-8-2-5-15(19)20;/h1,3-4,9,13-14H,2,5-8,10,17H2,(H,18,21);1H/t13-,14+;/m1./s1
InChIKeyGGQOYLDCXDGFQV-DFQHDRSWSA-N
XLogP1.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787793
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide
CID 120787794
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
(2S,5R)-5-(aminomethyl)-N-[3-(phenylcarbamoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785329
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
(2S,5R)-5-(aminomethyl)-N-(3-methylsulfanylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782725
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120784633) is (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is GGQOYLDCXDGFQV-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c17-10-13-6-7-14(22-13)16(21)18-11-3-1-4-12(9-11)19-8-2-5-15(19)20;/h1,3-4,9,13-14H,2,5-8,10,17H2,(H,18,21);1H/t13-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120784633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).