(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide

C16H23FN2O2 — CID 120787294

IUPAC(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(10-12-4-3-5-13(17)8-12)16(20)15-7-6-14(9-18)21-15/h3-5,8,11,14-15H,6-7,9-10,18H2,1-2H3/t14-,15+/m1/s1
InChIKeyBAUIITSMWCXOCH-CABCVRRESA-N
MW294.37 g/mol
LogP2.07
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide (PubChem CID 120787294) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
PubChem CID120787294
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(10-12-4-3-5-13(17)8-12)16(20)15-7-6-14(9-18)21-15/h3-5,8,11,14-15H,6-7,9-10,18H2,1-2H3/t14-,15+/m1/s1
InChIKeyBAUIITSMWCXOCH-CABCVRRESA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
CID 120789951
(2S,5R)-5-(aminomethyl)-N-[(4-nitrophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120789646
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793443
(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120794830
(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
CID 120795026
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide (CID 120787294) is (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide is CC(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is BAUIITSMWCXOCH-CABCVRRESA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)19(10-12-4-3-5-13(17)8-12)16(20)15-7-6-14(9-18)21-15/h3-5,8,11,14-15H,6-7,9-10,18H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 120787294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).