(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride

C14H21ClN2O2 — CID 120782647

IUPAC(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
SMILESCCN(C(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-16(11-6-4-3-5-7-11)14(17)13-9-8-12(10-15)18-13;/h3-7,12-13H,2,8-10,15H2,1H3;1H/t12-,13+;/m1./s1
InChIKeyNBNFKWXBMIZSMD-KZCZEQIWSA-N
MW284.79 g/mol
LogP1.97
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride (PubChem CID 120782647) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
PubChem CID120782647
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
SMILESCCN(C(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-16(11-6-4-3-5-7-11)14(17)13-9-8-12(10-15)18-13;/h3-7,12-13H,2,8-10,15H2,1H3;1H/t12-,13+;/m1./s1
InChIKeyNBNFKWXBMIZSMD-KZCZEQIWSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2,3-dimethylphenyl)-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120788019
(2S,5R)-5-(aminomethyl)-N-[3-(N-ethylanilino)propyl]oxolane-2-carboxamide;dihydrochloride
CID 120797271
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107734029
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120794955
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
(2R,5S)-5-[butyl(phenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945334
(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 120798364
(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 120783698

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride (CID 120782647) is (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride is CCN(C(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride?
The InChIKey is NBNFKWXBMIZSMD-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-2-16(11-6-4-3-5-7-11)14(17)13-9-8-12(10-15)18-13;/h3-7,12-13H,2,8-10,15H2,1H3;1H/t12-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.97, 4 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-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).