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

C16H24N2O3 — CID 120783698

IUPAC(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C16H24N2O3/c1-20-10-9-18(12-13-5-3-2-4-6-13)16(19)15-8-7-14(11-17)21-15/h2-6,14-15H,7-12,17H2,1H3/t14-,15+/m1/s1
InChIKeyGTNWISYAIHHKLM-CABCVRRESA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds7

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

(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide (PubChem CID 120783698) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
PubChem CID120783698
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C16H24N2O3/c1-20-10-9-18(12-13-5-3-2-4-6-13)16(19)15-8-7-14(11-17)21-15/h2-6,14-15H,7-12,17H2,1H3/t14-,15+/m1/s1
InChIKeyGTNWISYAIHHKLM-CABCVRRESA-N
XLogP1.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946
(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
CID 120886926
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782647
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120793736
(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide
CID 75494342
(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120794830

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide (CID 120783698) is (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide is COCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide?
The InChIKey is GTNWISYAIHHKLM-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-10-9-18(12-13-5-3-2-4-6-13)16(19)15-8-7-14(11-17)21-15/h2-6,14-15H,7-12,17H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120783698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).