(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide

C16H22N2O4 — CID 120794518

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCOC3)cc2)O1
InChIInChI=1S/C16H22N2O4/c17-9-13-5-6-15(22-13)16(19)18-11-1-3-12(4-2-11)21-14-7-8-20-10-14/h1-4,13-15H,5-10,17H2,(H,18,19)/t13-,14?,15+/m1/s1
InChIKeyYQQMXFUOTYZORF-LOWNFYCTSA-N
MW306.36 g/mol
LogP1.30
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide (PubChem CID 120794518) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
PubChem CID120794518
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCOC3)cc2)O1
InChIInChI=1S/C16H22N2O4/c17-9-13-5-6-15(22-13)16(19)18-11-1-3-12(4-2-11)21-14-7-8-20-10-14/h1-4,13-15H,5-10,17H2,(H,18,19)/t13-,14?,15+/m1/s1
InChIKeyYQQMXFUOTYZORF-LOWNFYCTSA-N
XLogP1.30
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120794517
(2S,5R)-5-(aminomethyl)-N-(4-cyclohexyloxyphenyl)oxolane-2-carboxamide
CID 120793998
(2S,5R)-5-(aminomethyl)-N-[2-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120795372
(2S,5R)-5-(aminomethyl)-N-[4-(oxan-4-ylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799689
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120786454
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[4-(3-amino-3-oxopropoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788355

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide (CID 120794518) is (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCOC3)cc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide?
The InChIKey is YQQMXFUOTYZORF-LOWNFYCTSA-N. The full InChI is InChI=1S/C16H22N2O4/c17-9-13-5-6-15(22-13)16(19)18-11-1-3-12(4-2-11)21-14-7-8-20-10-14/h1-4,13-15H,5-10,17H2,(H,18,19)/t13-,14?,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.30, 5 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-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).