(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 120791903

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
SMILESCC(CN(C)C(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-6-4-3-5-7-13)11-18(2)16(19)15-9-8-14(10-17)20-15;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H/t12?,14-,15+;/m1./s1
InChIKeyZGCORCZHVPZJNJ-ZLADKUJESA-N
MW312.84 g/mol
LogP2.18
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120791903) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120791903
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
SMILESCC(CN(C)C(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-6-4-3-5-7-13)11-18(2)16(19)15-9-8-14(10-17)20-15;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H/t12?,14-,15+;/m1./s1
InChIKeyZGCORCZHVPZJNJ-ZLADKUJESA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
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(2S,5R)-5-(aminomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787403
(2S,5R)-5-(aminomethyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120783891
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
N-methyl-N-(2-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316587
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120794703
4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 120788633
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride (CID 120791903) is (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride is CC(CN(C)C(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is ZGCORCZHVPZJNJ-ZLADKUJESA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(13-6-4-3-5-7-13)11-18(2)16(19)15-9-8-14(10-17)20-15;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H/t12?,14-,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.18, 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-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120791903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).