(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide

C16H24N2O2 — CID 120794626

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(CCNC(=O)[C@@H]2CC[C@H](CN)O2)c1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-13(8-11)5-6-18-16(19)15-4-3-14(10-17)20-15/h7-9,14-15H,3-6,10,17H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKeySESDNYPPDRAPCZ-CABCVRRESA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 120794626) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID120794626
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(CCNC(=O)[C@@H]2CC[C@H](CN)O2)c1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-13(8-11)5-6-18-16(19)15-4-3-14(10-17)20-15/h7-9,14-15H,3-6,10,17H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKeySESDNYPPDRAPCZ-CABCVRRESA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790695
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120795188
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786721
(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120800320
(2S,5R)-5-(aminomethyl)-N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]oxolane-2-carboxamide
CID 120799954
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787343
(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784268
(2S,5R)-5-(aminomethyl)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791545
(2S,5R)-5-(aminomethyl)-N-[2-(5-bromo-2-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789465
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide (CID 120794626) is (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide is Cc1cc(C)cc(CCNC(=O)[C@@H]2CC[C@H](CN)O2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is SESDNYPPDRAPCZ-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-12(2)9-13(8-11)5-6-18-16(19)15-4-3-14(10-17)20-15/h7-9,14-15H,3-6,10,17H2,1-2H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).