(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide

C18H25N3O3 — CID 120787050

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC(CN2CCCC2=O)c2ccccc2)O1
InChIInChI=1S/C18H25N3O3/c19-11-14-8-9-16(24-14)18(23)20-15(13-5-2-1-3-6-13)12-21-10-4-7-17(21)22/h1-3,5-6,14-16H,4,7-12,19H2,(H,20,23)/t14-,15?,16+/m1/s1
InChIKeyNRGKQBZMFAOJTQ-TUOGLVOQSA-N
MW331.42 g/mol
LogP0.97
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide (PubChem CID 120787050) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
PubChem CID120787050
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC(CN2CCCC2=O)c2ccccc2)O1
InChIInChI=1S/C18H25N3O3/c19-11-14-8-9-16(24-14)18(23)20-15(13-5-2-1-3-6-13)12-21-10-4-7-17(21)22/h1-3,5-6,14-16H,4,7-12,19H2,(H,20,23)/t14-,15?,16+/m1/s1
InChIKeyNRGKQBZMFAOJTQ-TUOGLVOQSA-N
XLogP0.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
(2S,5R)-5-(aminomethyl)-N-(2-methylsulfinyl-1-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120795105
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride
CID 119287077
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
CID 55749883
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120790575
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)oxolane-2-carboxamide
CID 120797014
1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea
CID 87005903
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784633
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide (CID 120787050) is (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC(CN2CCCC2=O)c2ccccc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide?
The InChIKey is NRGKQBZMFAOJTQ-TUOGLVOQSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-11-14-8-9-16(24-14)18(23)20-15(13-5-2-1-3-6-13)12-21-10-4-7-17(21)22/h1-3,5-6,14-16H,4,7-12,19H2,(H,20,23)/t14-,15?,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.97, 6 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-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120787050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).