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

C12H16N2O3 — CID 120801756

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccccc2O)O1
InChIInChI=1S/C12H16N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h1-4,8,11,15H,5-7,13H2,(H,14,16)/t8-,11+/m1/s1
InChIKeyDTWMAAWFGAJLNS-KCJUWKMLSA-N
MW236.27 g/mol
LogP0.84
Rot. Bonds3

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

(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide (PubChem CID 120801756) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
PubChem CID120801756
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccccc2O)O1
InChIInChI=1S/C12H16N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h1-4,8,11,15H,5-7,13H2,(H,14,16)/t8-,11+/m1/s1
InChIKeyDTWMAAWFGAJLNS-KCJUWKMLSA-N
XLogP0.84
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide
CID 120782509
(2S,5R)-5-(aminomethyl)-N-(3-benzamido-2-methylphenyl)oxolane-2-carboxamide
CID 120789036
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
CID 120785310
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(2S,5R)-5-(aminomethyl)-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786305
(2S,5R)-5-(aminomethyl)-N-[2-(phenylmethoxymethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787317
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[2-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120795372

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide (CID 120801756) is (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2O)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide?
The InChIKey is DTWMAAWFGAJLNS-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h1-4,8,11,15H,5-7,13H2,(H,14,16)/t8-,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120801756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).