(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide

C21H31N3O4 — CID 120787234

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C21H31N3O4/c1-2-17(23-21(26)19-10-9-15(13-22)28-19)16-7-3-4-8-18(16)27-14-20(25)24-11-5-6-12-24/h3-4,7-8,15,17,19H,2,5-6,9-14,22H2,1H3,(H,23,26)/t15-,17?,19+/m1/s1
InChIKeyVXCGIILLJBDXMQ-LZUBQGRKSA-N
MW389.50 g/mol
LogP1.76
Rot. Bonds8

About (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide (PubChem CID 120787234) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
PubChem CID120787234
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C21H31N3O4/c1-2-17(23-21(26)19-10-9-15(13-22)28-19)16-7-3-4-8-18(16)27-14-20(25)24-11-5-6-12-24/h3-4,7-8,15,17,19H,2,5-6,9-14,22H2,1H3,(H,23,26)/t15-,17?,19+/m1/s1
InChIKeyVXCGIILLJBDXMQ-LZUBQGRKSA-N
XLogP1.76
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
CID 120796178
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97238303
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275
2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide
CID 55901923
3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902299
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 55957964
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide (CID 120787234) is (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide is CCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide?
The InChIKey is VXCGIILLJBDXMQ-LZUBQGRKSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-2-17(23-21(26)19-10-9-15(13-22)28-19)16-7-3-4-8-18(16)27-14-20(25)24-11-5-6-12-24/h3-4,7-8,15,17,19H,2,5-6,9-14,22H2,1H3,(H,23,26)/t15-,17?,19+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 120787234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).