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

C16H21Cl2N3O3 — CID 120792805

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2CC(=O)N(c3ccccc3Cl)C2)O1
InChIInChI=1S/C16H20ClN3O3.ClH/c17-12-3-1-2-4-13(12)20-9-10(7-15(20)21)19-16(22)14-6-5-11(8-18)23-14;/h1-4,10-11,14H,5-9,18H2,(H,19,22);1H/t10?,11-,14+;/m1./s1
InChIKeyHGQRZITZTASHGW-FHBCOURSSA-N
MW374.27 g/mol
LogP1.49
Rot. Bonds4

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

(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120792805) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120792805
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2CC(=O)N(c3ccccc3Cl)C2)O1
InChIInChI=1S/C16H20ClN3O3.ClH/c17-12-3-1-2-4-13(12)20-9-10(7-15(20)21)19-16(22)14-6-5-11(8-18)23-14;/h1-4,10-11,14H,5-9,18H2,(H,19,22);1H/t10?,11-,14+;/m1./s1
InChIKeyHGQRZITZTASHGW-FHBCOURSSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120796381
(2S,5R)-5-(aminomethyl)-N-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796382
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119474578
(3S)-N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135311
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793260
1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119424407
1-[[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 146136082
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
1-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51240390

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride (CID 120792805) is (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NC2CC(=O)N(c3ccccc3Cl)C2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is HGQRZITZTASHGW-FHBCOURSSA-N. The full InChI is InChI=1S/C16H20ClN3O3.ClH/c17-12-3-1-2-4-13(12)20-9-10(7-15(20)21)19-16(22)14-6-5-11(8-18)23-14;/h1-4,10-11,14H,5-9,18H2,(H,19,22);1H/t10?,11-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 374.27 g/mol, XLogP of 1.49, 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-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).