(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide

C13H18N2O2 — CID 120782708

IUPAC(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)15-13(16)12-7-6-11(8-14)17-12/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyDECIHTMEKMUDHY-NEPJUHHUSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide (PubChem CID 120782708) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
PubChem CID120782708
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)15-13(16)12-7-6-11(8-14)17-12/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyDECIHTMEKMUDHY-NEPJUHHUSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
ethyl 4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzoate
CID 120782848
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(4-propan-2-ylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782887
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892
(2S,5R)-5-(aminomethyl)-N-[4-(oxan-4-ylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799689
(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120782490
(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788867
(2S,5R)-5-(aminomethyl)-N-(4-cyclohexyloxyphenyl)oxolane-2-carboxamide
CID 120793998
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
CID 120785796

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide (CID 120782708) is (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide?
The InChIKey is DECIHTMEKMUDHY-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)15-13(16)12-7-6-11(8-14)17-12/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.44, 3 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-(4-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120782708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).