(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide

C17H24N2O2 — CID 120793016

IUPAC(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCc1ccccc1C(NC(=O)[C@@H]1CC[C@H](CN)O1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-11-4-2-3-5-14(11)16(12-6-7-12)19-17(20)15-9-8-13(10-18)21-15/h2-5,12-13,15-16H,6-10,18H2,1H3,(H,19,20)/t13-,15+,16?/m1/s1
InChIKeyFWKKAZYWWPQXSI-YISXUXMPSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 120793016) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
PubChem CID120793016
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCc1ccccc1C(NC(=O)[C@@H]1CC[C@H](CN)O1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-11-4-2-3-5-14(11)16(12-6-7-12)19-17(20)15-9-8-13(10-18)21-15/h2-5,12-13,15-16H,6-10,18H2,1H3,(H,19,20)/t13-,15+,16?/m1/s1
InChIKeyFWKKAZYWWPQXSI-YISXUXMPSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120793696
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801109
(2S,5R)-5-(aminomethyl)-N-[(4-bromophenyl)-cyclobutylmethyl]oxolane-2-carboxamide
CID 120788978
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
(2S,5R)-5-(aminomethyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788249
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide (CID 120793016) is (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide is Cc1ccccc1C(NC(=O)[C@@H]1CC[C@H](CN)O1)C1CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is FWKKAZYWWPQXSI-YISXUXMPSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-4-2-3-5-14(11)16(12-6-7-12)19-17(20)15-9-8-13(10-18)21-15/h2-5,12-13,15-16H,6-10,18H2,1H3,(H,19,20)/t13-,15+,16?/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120793016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).