(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide

C16H21BrN2O2 — CID 120789412

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)O1
InChIInChI=1S/C16H21BrN2O2/c17-12-4-1-3-11(9-12)16(7-2-8-16)19-15(20)14-6-5-13(10-18)21-14/h1,3-4,9,13-14H,2,5-8,10,18H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyIYZKOSMHCSXURY-KGLIPLIRSA-N
MW353.26 g/mol
LogP2.45
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide (PubChem CID 120789412) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
PubChem CID120789412
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)O1
InChIInChI=1S/C16H21BrN2O2/c17-12-4-1-3-11(9-12)16(7-2-8-16)19-15(20)14-6-5-13(10-18)21-14/h1,3-4,9,13-14H,2,5-8,10,18H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyIYZKOSMHCSXURY-KGLIPLIRSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-phenylcyclopentyl)oxolane-2-carboxamide;hydrochloride
CID 120793343
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]oxolane-2-carboxamide
CID 120785032
(2S,5R)-5-(aminomethyl)-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120788855
(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride
CID 120792179
(2S,5R)-5-(aminomethyl)-N-[2-[(3-bromobenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 120791324
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride
CID 120800829
(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120788388
(2S,5R)-5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 120782948
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990587

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide (CID 120789412) is (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide?
The InChIKey is IYZKOSMHCSXURY-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c17-12-4-1-3-11(9-12)16(7-2-8-16)19-15(20)14-6-5-13(10-18)21-14/h1,3-4,9,13-14H,2,5-8,10,18H2,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 2.45, 4 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-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide is sourced from PubChem (CID 120789412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).