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

C15H22N2O3 — CID 120783910

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
SMILESCCCOc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C15H22N2O3/c1-2-9-19-13-6-4-3-5-12(13)17-15(18)14-8-7-11(10-16)20-14/h3-6,11,14H,2,7-10,16H2,1H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyNYIUYLKFYLHQCL-RISCZKNCSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide (PubChem CID 120783910) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
PubChem CID120783910
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
SMILESCCCOc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C15H22N2O3/c1-2-9-19-13-6-4-3-5-12(13)17-15(18)14-8-7-11(10-16)20-14/h3-6,11,14H,2,7-10,16H2,1H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyNYIUYLKFYLHQCL-RISCZKNCSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4-methyl-2-propoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120787723
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
CID 120785310
(2S,5R)-5-(aminomethyl)-N-[2-(oxan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120789636
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
CID 120796178
(2S,5R)-5-(aminomethyl)-N-[2-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120795372
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120783599
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120796585
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
CID 120795540

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide (CID 120783910) is (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide is CCCOc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide?
The InChIKey is NYIUYLKFYLHQCL-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-9-19-13-6-4-3-5-12(13)17-15(18)14-8-7-11(10-16)20-14/h3-6,11,14H,2,7-10,16H2,1H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120783910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).